data_[Nd8Co4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5138]
_cell_length_b [3.9969]
_cell_length_c [10.4625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2CoNi2]
_chemical_formula_sum '[Nd8 Co4 Ni8]'
_cell_volume [399.0583]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.0982  0.0000  0.8941  1
  Nd  Nd1  4  0.2024  0.5000  0.6402  1
  Co  Co2  4  0.0714  0.5000  0.3174  1
  Ni  Ni3  4  0.0377  0.0000  0.4103  1
  Ni  Ni4  4  0.1128  0.5000  0.1138  1
]