data_[Ge3Bi4]
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
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1631]
_cell_length_b [5.1631]
_cell_length_c [21.0863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ge3Bi4]
_chemical_formula_sum '[Ge3 Bi4]'
_cell_volume [486.7979]
_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  2  0.3333  0.6667  0.6097  1
  Ge  Ge1  1  0.0000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.0000  0.3557  1
  Bi  Bi3  2  0.3333  0.6667  0.4647  1
]