data_[Cr1Co14Ni1]
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 [P4/mmm]
_cell_length_a [4.9705]
_cell_length_b [4.9705]
_cell_length_c [7.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CrCo14Ni]
_chemical_formula_sum '[Cr1 Co14 Ni1]'
_cell_volume [175.3453]
_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  0.5000  0.5000  0.0000  1
  Co  Co1  8  0.2491  0.2491  0.2511  1
  Co  Co2  2  0.0000  0.5000  0.0000  1
  Co  Co3  2  0.0000  0.5000  0.5000  1
  Co  Co4  1  0.0000  0.0000  0.5000  1
  Co  Co5  1  0.5000  0.5000  0.5000  1
  Ni  Ni6  1  0.0000  0.0000  0.0000  1
]