data_[Ga2Te2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.1649]
_cell_length_b [6.0273]
_cell_length_c [8.5685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [GaTeBr]
_chemical_formula_sum '[Ga2 Te2 Br2]'
_cell_volume [215.0114]
_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  0.2562  0.1349  0.1115  1
  Te  Te1  2  0.2412  0.3541  0.8434  1
  Br  Br2  2  0.2691  0.3707  0.3320  1
]