data_Cr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   6.57
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Co
_chemical_formula_sum   'Cr4 Co2'
_cell_volume   63.3
_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
  Cr  Cr2  1  0.3  0.25  0.0  1.0
  Cr  Cr3  1  0.95  0.54  0.92  1.0
  Cr  Cr4  1  0.56  0.03  0.92  1.0
  Cr  Cr5  1  0.2  0.32  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.25  0.29  0.92  1.0

data_Cr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   3.85
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Co
_chemical_formula_sum   'Cr4 Co2'
_cell_volume   63.3
_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
  Cr  Cr0  1  0.05  0.08  0.46  1.0
  Cr  Cr1  1  0.44  0.08  0.97  1.0
  Cr  Cr2  1  0.7  0.0  0.75  1.0
  Cr  Cr3  1  0.8  0.0  0.68  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.75  0.08  0.71  1.0

Cr Cr Cr Cr Co Co
Cr Cr Cr Cr Co Co 0 5 o o - 1 3 + o + 1 5 + o o 2 4 + o + 3 5 o o - 