data_[Nd4In4Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7932]
_cell_length_b [4.7624]
_cell_length_c [9.2688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2In2Se5]
_chemical_formula_sum '[Nd4 In4 Se10]'
_cell_volume [550.4931]
_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  4  0.1189  0.5000  0.9780  1
  In  In1  4  0.1359  0.0000  0.4792  1
  Se  Se2  4  0.1232  0.5000  0.3195  1
  Se  Se3  4  0.1455  0.0000  0.7914  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]