data_[Li2Nb2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [17.2946]
_cell_length_b [3.7059]
_cell_length_c [19.8781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LiNbTe5]
_chemical_formula_sum '[Li2 Nb2 Te10]'
_cell_volume [1274.0360]
_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
[
  Li  Li0  2  0.0000  0.5000  0.5000  1
  Nb  Nb1  2  0.2500  0.0000  0.5124  1
  Te  Te2  4  0.1002  0.0000  0.5766  1
  Te  Te3  4  0.1604  0.5000  0.4393  1
  Te  Te4  2  0.2500  0.5000  0.6227  1
]