data_ZnMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.45
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   97.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMo2Cl
_chemical_formula_sum   'Zn1 Mo2 Cl1'
_cell_volume   64.26
_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  0.05  0.22  0.56  1.0
  Mo  Mo1  1  0.31  0.22  0.06  1.0
  Mo  Mo2  1  0.32  0.0  0.22  1.0
  Cl  Cl0  1  0.64  0.0  0.7  1.0

data_ZnMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.45
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   97.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMo2Cl
_chemical_formula_sum   'Zn1 Mo2 Cl1'
_cell_volume   64.26
_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  0.05  0.22  0.56  1.0
  Mo  Mo1  1  0.31  0.22  0.06  1.0
  Mo  Mo2  1  0.32  0.0  0.22  1.0
  Cl  Cl3  1  0.64  0.0  0.7  1.0

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