data_Zn2CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrMo
_chemical_formula_sum   'Zn2 Cr1 Mo1'
_cell_volume   55.32
_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  0.82  0.0  0.1  1.0
  Zn  Zn3  1  0.0  0.82  0.1  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.82  0.82  0.0  1.0

data_Zn2CrMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2CrMo
_chemical_formula_sum   'Zn4 Cr2 Mo2'
_cell_volume   110.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.41  0.41  0.1  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.32  0.5  -0.0  1.0

Zn Zn Cr Mo
Zn Zn Cr Mo 0 3 o - o 0 2 + o o 1 3 - o o 1 2 o + o 