data_[Nd4Cu3Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5916]
_cell_length_b [4.4807]
_cell_length_c [7.3743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nd4Cu3Ni]
_chemical_formula_sum '[Nd4 Cu3 Ni1]'
_cell_volume [184.7612]
_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
[
  Nd  Nd0  1  0.1208  0.0000  0.1863  1.0
  Nd  Nd1  1  0.3746  0.0000  0.6757  1.0
  Nd  Nd2  1  0.6317  0.5000  0.3251  1.0
  Nd  Nd3  1  0.8722  0.5000  0.8109  1.0
  Cu  Cu4  1  0.1210  0.5000  0.4664  1.0
  Cu  Cu5  1  0.3823  0.5000  0.9672  1.0
  Cu  Cu6  1  0.6123  0.0000  0.0348  1.0
  Ni  Ni7  1  0.8850  0.0000  0.5336  1.0
]