data_Cr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   117.16
_cell_angle_beta   117.16
_cell_angle_gamma   117.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Co
_chemical_formula_sum   'Cr3 Co1'
_cell_volume   45.62
_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
  Cr  Cr1  1  0.98  0.83  0.81  1.0
  Cr  Cr2  1  0.02  0.83  0.81  1.0
  Cr  Cr3  1  0.0  0.33  0.81  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Cr3Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   117.16
_cell_angle_beta   99.81
_cell_angle_gamma   99.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Co
_chemical_formula_sum   'Cr3 Co1'
_cell_volume   45.62
_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
  Cr  Cr0  1  0.81  0.79  0.97  1.0
  Cr  Cr1  1  0.81  0.83  0.97  1.0
  Cr  Cr2  1  0.81  0.81  0.47  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Cr Cr Cr Co