data_[Nd4In4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.3268]
_cell_length_b [6.3064]
_cell_length_c [6.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [NdInSn3]
_chemical_formula_sum '[Nd4 In4 Sn12]'
_cell_volume [550.9003]
_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  0.3084  0.0065  0.7500  1.0
  In  In1  4  0.1159  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0820  0.7139  0.2500  1.0
  Sn  Sn3  4  0.2866  0.5119  0.7500  1.0
  Sn  Sn4  4  0.4997  0.2500  0.0000  1.0
]