data_[Cr2Co6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3426]
_cell_length_b [4.7139]
_cell_length_c [6.4442]
_cell_angle_alpha [109.1369]
_cell_angle_beta [90.0192]
_cell_angle_gamma [117.3398]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrCo3Ni]
_chemical_formula_sum '[Cr2 Co6 Ni2]'
_cell_volume [108.9015]
_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  2  0.3597  0.8948  0.6508  1
  Co  Co1  2  0.1690  0.5009  0.2475  1
  Co  Co2  2  0.2326  0.2997  0.5457  1
  Co  Co3  2  0.4320  0.6965  0.9462  1
  Ni  Ni4  2  0.0346  0.8981  0.1501  1
]