data_[Nb2In2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.9996]
_cell_length_b [3.5977]
_cell_length_c [18.7702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NbInSe5]
_chemical_formula_sum '[Nb2 In2 Se10]'
_cell_volume [1012.9047]
_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
[
  Nb  Nb0  2  0.2500  0.5000  0.4941  1
  In  In1  2  0.0000  0.0000  0.5000  1
  Se  Se2  4  0.1025  0.5000  0.5811  1
  Se  Se3  4  0.1527  0.0000  0.4214  1
  Se  Se4  2  0.2500  0.0000  0.6004  1
]