data_[Ga2Bi2Te6]
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 [P2_1/m]
_cell_length_a [8.4709]
_cell_length_b [4.2261]
_cell_length_c [10.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaBiTe3]
_chemical_formula_sum '[Ga2 Bi2 Te6]'
_cell_volume [391.3243]
_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
[
  Ga  Ga0  2  0.0441  0.7500  0.8795  1.0
  Bi  Bi1  2  0.2897  0.7500  0.4330  1.0
  Te  Te2  2  0.0056  0.2500  0.3556  1.0
  Te  Te3  2  0.2102  0.2500  0.9785  1.0
  Te  Te4  2  0.4998  0.7500  0.6786  1.0
]