data_test
_audit_creation_method            'gchemol'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic

loop_
_symmetry_equiv_pos_as_xyz
 x,y,z
_cell_length_a        {{molecule.unit_cell.a}}
_cell_length_b        {{molecule.unit_cell.b}}
_cell_length_c        {{molecule.unit_cell.c}}
_cell_angle_alpha     {{molecule.unit_cell.alpha}}
_cell_angle_beta      {{molecule.unit_cell.beta}}
_cell_angle_gamma     {{molecule.unit_cell.gamma}}

loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
{{#each molecule.atoms as |a| ~}}
{{format a.symbol width=4}} {{format a.fx}} {{format a.fy}} {{format a.fz}}
{{/each~}}