data_Cr3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.43
_cell_length_b   3.98
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   100.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Co
_chemical_formula_sum   'Cr3 Co1'
_cell_volume   45.39
_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  0.68  0.99  0.18  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.87  0.99  0.51  1.0
  Co  Co0  1  0.77  0.0  0.35  1.0

data_Cr3Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.43
_cell_length_b   3.98
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   100.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr3Co
_chemical_formula_sum   'Cr3 Co1'
_cell_volume   45.39
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.68  0.0  0.18  1.0
  Cr  Cr2  1  0.87  0.0  0.51  1.0
  Co  Co3  1  0.77  0.0  0.35  1.0

Cr Cr Cr Co