data_[Nd8Ho4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7366]
_cell_length_b [3.7986]
_cell_length_c [11.1993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2HoNi2]
_chemical_formula_sum '[Nd8 Ho4 Ni8]'
_cell_volume [474.6182]
_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  0.0437  0.5000  0.6909  1.0
  Nd  Nd1  4  0.1606  0.5000  0.0698  1.0
  Ho  Ho2  4  0.2065  0.0000  0.3603  1.0
  Ni  Ni3  4  0.0033  0.0000  0.8849  1.0
  Ni  Ni4  4  0.1147  0.0000  0.5464  1.0
]