data_ZnCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr3
_chemical_formula_sum   'Zn4 Cr12'
_cell_volume   195.37
_cell_formula_units_Z   4
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  Zn12  1  0.0  0.0  0.0  1.0
  Zn  Zn13  1  0.0  0.0  0.21  1.0
  Zn  Zn14  1  0.0  0.99  0.1  1.0
  Zn  Zn15  1  0.59  0.49  0.31  1.0
  Cr  Cr0  1  0.71  0.24  0.0  1.0
  Cr  Cr1  1  0.71  0.24  0.21  1.0
  Cr  Cr2  1  0.0  0.62  0.31  1.0
  Cr  Cr3  1  0.81  0.67  0.31  1.0
  Cr  Cr4  1  0.4  0.81  0.1  1.0
  Cr  Cr5  1  0.59  0.0  0.0  1.0
  Cr  Cr6  1  0.59  0.0  0.21  1.0
  Cr  Cr7  1  0.29  0.24  0.0  1.0
  Cr  Cr8  1  0.29  0.24  0.21  1.0
  Cr  Cr9  1  0.19  0.67  0.31  1.0
  Cr  Cr10  1  0.78  0.81  0.1  1.0
  Cr  Cr11  1  0.59  0.87  0.1  1.0

data_ZnCr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr3
_chemical_formula_sum   'Zn4 Cr12'
_cell_volume   195.37
_cell_formula_units_Z   4
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  0.0  0.21  1.0
  Zn  Zn2  1  0.0  0.99  0.1  1.0
  Zn  Zn3  1  0.59  0.49  0.31  1.0
  Cr  Cr4  1  0.0  0.62  0.31  1.0
  Cr  Cr5  1  0.19  0.67  0.31  1.0
  Cr  Cr6  1  0.29  0.24  0.0  1.0
  Cr  Cr7  1  0.29  0.24  0.21  1.0
  Cr  Cr8  1  0.4  0.81  0.1  1.0
  Cr  Cr9  1  0.59  0.0  0.0  1.0
  Cr  Cr10  1  0.59  0.0  0.21  1.0
  Cr  Cr11  1  0.59  0.87  0.1  1.0
  Cr  Cr12  1  0.71  0.24  0.0  1.0
  Cr  Cr13  1  0.71  0.24  0.21  1.0
  Cr  Cr14  1  0.78  0.81  0.1  1.0
  Cr  Cr15  1  0.81  0.67  0.31  1.0

Zn Zn Zn Zn Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr