data_[Gd2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.0663]
_cell_length_b [4.1953]
_cell_length_c [15.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GdBiTe3]
_chemical_formula_sum '[Gd2 Bi2 Te6]'
_cell_volume [1277.5574]
_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
[
  Gd  Gd0  2  0.5000  0.0000  0.3736  1
  Bi  Bi1  2  0.5000  0.0000  0.6646  1
  Te  Te2  4  0.3934  0.0000  0.7967  1
  Te  Te3  2  0.5000  0.0000  0.0194  1
]