data_Zn3Mo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Mo2
_chemical_formula_sum   'Zn3 Mo2'
_cell_volume   88.57
_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  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.18  0.26  0.27  1.0
  Zn  Zn4  1  0.0  0.52  0.1  1.0
  Mo  Mo0  1  0.18  0.26  0.54  1.0
  Mo  Mo1  1  0.0  0.52  0.83  1.0

data_Zn3Mo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Mo2
_chemical_formula_sum   'Zn3 Mo2'
_cell_volume   88.57
_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  Zn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.52  0.1  1.0
  Zn  Zn2  1  0.18  0.26  0.27  1.0
  Mo  Mo3  1  0.0  0.52  0.83  1.0
  Mo  Mo4  1  0.18  0.26  0.54  1.0

Zn Zn Zn Mo Mo
Zn Zn Zn Mo Mo 0 2 o - o 0 1 o o o 1 3 o o o 2 4 o o - 