data_[Nd10Bi10Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4409]
_cell_length_b [6.4097]
_cell_length_c [9.1680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Bi5Te]
_chemical_formula_sum '[Nd10 Bi10 Te2]'
_cell_volume [802.1393]
_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  0.1682  0.0000  0.3337  1
  Nd  Nd1  4  0.1707  0.0000  0.8352  1
  Nd  Nd2  2  0.0000  0.5000  0.0000  1
  Bi  Bi3  4  0.1570  0.5000  0.8168  1
  Bi  Bi4  4  0.1602  0.5000  0.3382  1
  Bi  Bi5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.0000  0.0000  1
]