data_Zn3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Cr
_chemical_formula_sum   'Zn6 Cr2'
_cell_volume   115.54
_cell_formula_units_Z   2
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  0.34  0.13  0.18  1.0
  Zn  Zn3  1  0.01  0.1  0.18  1.0
  Zn  Zn4  1  0.34  0.87  0.06  1.0
  Zn  Zn5  1  0.68  0.13  0.18  1.0
  Zn  Zn6  1  0.01  0.9  0.06  1.0
  Zn  Zn7  1  0.68  0.87  0.06  1.0
  Cr  Cr0  1  0.01  0.8  0.06  1.0
  Cr  Cr1  1  0.01  0.2  0.18  1.0

data_Zn3Cr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.24
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   112.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn3Cr
_chemical_formula_sum   'Zn6 Cr2'
_cell_volume   115.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.0  0.1  1.0
  Zn  Zn1  2  0.06  0.33  0.13  1.0
  Zn  Zn2  2  0.06  0.67  0.13  1.0
  Cr  Cr3  2  0.06  0.0  0.2  1.0

Zn Zn Zn Zn Zn Zn Cr Cr
Zn Zn Zn Zn Zn Zn Cr Cr 0 4 o - o 0 1 o o o 0 7 o o o 0 2 o - o 0 3 o o o 1 7 o o o 1 3 - o o 1 5 - - o 2 6 o o o 2 4 o o o 2 3 o + o 2 5 o o o 3 5 o - o 3 7 + o o 4 6 o o o 4 5 - o o 5 6 + o o 