data_CrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2
_chemical_formula_sum   'Cr2 Co4'
_cell_volume   63.96
_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  Cr4  1  0.24  0.56  0.99  1.0
  Cr  Cr5  1  0.24  0.44  0.98  1.0
  Co  Co0  1  0.24  0.88  0.99  1.0
  Co  Co1  1  0.24  0.76  0.98  1.0
  Co  Co2  1  0.24  0.24  0.99  1.0
  Co  Co3  1  0.24  0.12  0.98  1.0

data_CrCo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.48
_cell_length_b   3.97
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrCo2
_chemical_formula_sum   'Cr2 Co4'
_cell_volume   63.96
_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
  Cr  Cr0  2  0.44  0.01  0.94  1.0
  Co  Co1  2  0.12  0.01  0.62  1.0
  Co  Co2  2  0.24  0.99  0.74  1.0

Cr Cr Co Co Co Co