data_[Co2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.3156]
_cell_length_b [2.4783]
_cell_length_c [6.2503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoNi2]
_chemical_formula_sum '[Co2 Ni4]'
_cell_volume [65.0850]
_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
[
  Co  Co0  1  0.2439  0.5000  0.6750  1.0
  Co  Co1  1  0.5200  0.0000  0.0023  1.0
  Ni  Ni2  1  0.0213  0.5000  0.0047  1.0
  Ni  Ni3  1  0.2993  0.0000  0.3400  1.0
  Ni  Ni4  1  0.7438  0.0000  0.6731  1.0
  Ni  Ni5  1  0.7986  0.5000  0.3379  1.0
]