data_Zn(CrMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   144.85
_cell_angle_beta   144.85
_cell_angle_gamma   50.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(CrMo)2
_chemical_formula_sum   'Zn1 Cr2 Mo2'
_cell_volume   81.18
_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  Zn4  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.89  0.83  1.0
  Cr  Cr1  1  0.89  0.0  0.83  1.0
  Mo  Mo2  1  0.0  0.0  1.0  1.0
  Mo  Mo3  1  0.0  0.0  0.34  1.0

data_Zn(CrMo)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   115.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn(CrMo)2
_chemical_formula_sum   'Zn2 Cr4 Mo4'
_cell_volume   162.37
_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  2  0.0  0.0  0.0  1.0
  Cr  Cr1  4  0.39  0.45  0.94  1.0
  Mo  Mo2  2  0.34  0.0  0.34  1.0
  Mo  Mo3  2  0.5  0.5  1.0  1.0
