data_ZnSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   38.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Mo
_chemical_formula_sum   'Zn1 Sn2 Mo1'
_cell_volume   79.03
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zn  Zn3  1  0.0  0.0  0.76  1.0
  Sn  Sn1  1  0.0  0.0  0.59  1.0
  Sn  Sn2  1  0.01  0.0  0.43  1.0
  Mo  Mo0  1  0.01  0.0  0.45  1.0

data_ZnSn2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.7
_cell_length_b   4.02
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   109.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnSn2Mo
_chemical_formula_sum   'Zn1 Sn2 Mo1'
_cell_volume   79.03
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zn  Zn0  1  0.24  0.0  0.24  1.0
  Sn  Sn1  1  0.41  0.0  0.41  1.0
  Sn  Sn2  1  0.57  0.0  0.57  1.0
  Mo  Mo3  1  0.55  0.0  0.55  1.0

Zn Sn Sn Mo