data_[Nd2Cu1Si3Ni4]
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
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0902]
_cell_length_b [4.0902]
_cell_length_c [9.3981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Nd2CuSi3Ni4]
_chemical_formula_sum '[Nd2 Cu1 Si3 Ni4]'
_cell_volume [157.2284]
_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  2  0.0000  0.5000  0.7475  1.0
  Si  Si1  2  0.0000  0.5000  0.1231  1.0
  Si  Si2  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.3697  1.0
  Ni  Ni5  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni6  1  0.5000  0.5000  0.0000  1.0
]