data_CaZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.04
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   92.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnCr2
_chemical_formula_sum   'Ca1 Zn1 Cr2'
_cell_volume   67.05
_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
  Ca  Ca0  1  0.37  0.0  0.72  1.0
  Zn  Zn3  1  0.83  0.52  0.01  1.0
  Cr  Cr1  1  0.66  0.52  0.65  1.0
  Cr  Cr2  1  0.39  0.0  0.62  1.0

data_CaZnCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.07
_cell_length_c   7.21
_cell_angle_alpha   92.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnCr2
_chemical_formula_sum   'Ca1 Zn1 Cr2'
_cell_volume   67.05
_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
  Ca  Ca0  1  0.0  0.63  0.28  1.0
  Zn  Zn1  1  0.48  0.17  0.99  1.0
  Cr  Cr2  1  0.0  0.61  0.38  1.0
  Cr  Cr3  1  0.48  0.34  0.35  1.0

Ca Zn Cr Cr