data_[Nd4Ni2Sn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4140]
_cell_length_b [4.3410]
_cell_length_c [8.8555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Ni2Sn5]
_chemical_formula_sum '[Nd4 Ni2 Sn5]'
_cell_volume [284.9746]
_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  0.2138  0.5000  0.8610  1.0
  Nd  Nd1  2  0.2335  0.5000  0.4061  1.0
  Ni  Ni2  2  0.0714  0.0000  0.6195  1.0
  Sn  Sn3  2  0.1206  0.0000  0.1386  1.0
  Sn  Sn4  2  0.4209  0.0000  0.6537  1.0
  Sn  Sn5  1  0.5000  0.0000  0.0000  1.0
]