data_[Ge1Bi4Te7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  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 [4.4127]
_cell_length_b [4.4127]
_cell_length_c [24.6714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [GeBi4Te7]
_chemical_formula_sum '[Ge1 Bi4 Te7]'
_cell_volume [416.0371]
_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
[
  Ge  Ge0  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  2  0.3333  0.6667  0.1528  1.0
  Bi  Bi2  2  0.3333  0.6667  0.4166  1.0
  Te  Te3  2  0.0000  0.0000  0.2233  1.0
  Te  Te4  2  0.3333  0.6667  0.6538  1.0
  Te  Te5  2  0.3333  0.6667  0.9324  1.0
  Te  Te6  1  0.0000  0.0000  0.5000  1.0
]