data_[Ga4Bi4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0060]
_cell_length_b [4.3058]
_cell_length_c [7.6283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaBiTe]
_chemical_formula_sum '[Ga4 Bi4 Te4]'
_cell_volume [388.9126]
_cell_formula_units_Z [4]
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
[
  Ga  Ga0  2  0.0025  0.0000  0.6385  1.0
  Ga  Ga1  2  0.2359  0.0000  0.3126  1.0
  Bi  Bi2  2  0.2323  0.0000  0.6767  1.0
  Bi  Bi3  2  0.4004  0.5000  0.9015  1.0
  Te  Te4  2  0.1530  0.5000  0.0837  1.0
  Te  Te5  2  0.4571  0.0000  0.3909  1.0
]