data_[Ge2Te4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0135]
_cell_length_b [11.3236]
_cell_length_c [5.7636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GeTe2Br]
_chemical_formula_sum '[Ge2 Te4 Br2]'
_cell_volume [261.9280]
_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
[
  Ge  Ge0  2  0.4903  0.2500  0.3448  1
  Te  Te1  4  0.0089  0.5588  0.7066  1
  Br  Br2  2  0.4975  0.2500  0.9046  1
]