data_CrCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo3
_chemical_formula_sum   'Cr2 Co6'
_cell_volume   89.03
_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  Cr6  1  0.23  0.23  0.23  1.0
  Cr  Cr7  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.23  0.35  0.0  1.0
  Co  Co1  1  0.23  0.12  0.0  1.0
  Co  Co2  1  0.35  0.0  0.23  1.0
  Co  Co3  1  0.0  0.23  0.35  1.0
  Co  Co4  1  0.0  0.23  0.12  1.0
  Co  Co5  1  0.12  0.0  0.23  1.0

data_CrCo3
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   CrCo3
_chemical_formula_sum   'Cr6 Co18'
_cell_volume   267.09
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.23  1.0
  Co  Co2  9  0.0  0.88  0.12  1.0
  Co  Co3  9  0.04  0.19  0.19  1.0

Cr Cr Co Co Co Co Co Co