data_Ge2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   6.81
_cell_angle_alpha   103.77
_cell_angle_beta   103.77
_cell_angle_gamma   51.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeBr
_chemical_formula_sum   'Ge2 Te1 Br1'
_cell_volume   107.02
_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  Ge1  1  0.76  0.0  0.75  1.0
  Ge  Ge2  1  0.71  0.0  0.82  1.0
  Te  Te3  1  0.23  0.0  0.28  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ge2TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.58
_cell_length_c   6.81
_cell_angle_alpha   103.77
_cell_angle_beta   90.0
_cell_angle_gamma   115.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeBr
_chemical_formula_sum   'Ge2 Te1 Br1'
_cell_volume   107.02
_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  1  0.0  0.24  0.25  1.0
  Ge  Ge1  1  0.0  0.29  0.18  1.0
  Te  Te2  1  0.0  0.77  0.72  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ge Ge Te Br