data_[Nd6Ni2Sn14]
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 [Amm2]
_cell_length_a [4.5968]
_cell_length_b [4.5999]
_cell_length_c [27.0822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd3NiSn7]
_chemical_formula_sum '[Nd6 Ni2 Sn14]'
_cell_volume [572.6458]
_cell_formula_units_Z [2]
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  0.0000  0.1862  1.0
  Nd  Nd1  2  0.0000  0.0000  0.8142  1.0
  Nd  Nd2  2  0.5000  0.0000  0.4999  1.0
  Ni  Ni3  2  0.5000  0.0000  0.6292  1.0
  Sn  Sn4  2  0.0000  0.0000  0.4051  1.0
  Sn  Sn5  2  0.0000  0.0000  0.5890  1.0
  Sn  Sn6  2  0.0000  0.0000  0.9991  1.0
  Sn  Sn7  2  0.5000  0.0000  0.0894  1.0
  Sn  Sn8  2  0.5000  0.0000  0.2905  1.0
  Sn  Sn9  2  0.5000  0.0000  0.7207  1.0
  Sn  Sn10  2  0.5000  0.0000  0.9054  1.0
]