data_[In1Bi4Te7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4545]
_cell_length_b [4.4545]
_cell_length_c [24.5909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [InBi4Te7]
_chemical_formula_sum '[In1 Bi4 Te7]'
_cell_volume [422.5651]
_cell_formula_units_Z [1]
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
[
  In  In0  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  2  0.3333  0.6667  0.1578  1.0
  Bi  Bi2  2  0.3333  0.6667  0.4172  1.0
  Te  Te3  2  0.0000  0.0000  0.2275  1.0
  Te  Te4  2  0.3333  0.6667  0.6533  1.0
  Te  Te5  2  0.3333  0.6667  0.9269  1.0
  Te  Te6  1  0.0000  0.0000  0.5000  1.0
]