data_GaTeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   138.6
_cell_angle_beta   137.0
_cell_angle_gamma   61.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeBr
_chemical_formula_sum   'Ga1 Te1 Br1'
_cell_volume   94.2
_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
  Ga  Ga1  1  0.0  0.0  0.11  1.0
  Te  Te2  1  0.0  0.0  0.88  1.0
  Br  Br0  1  0.0  0.0  0.26  1.0

data_GaTeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.37
_cell_length_c   5.96
_cell_angle_alpha   111.5
_cell_angle_beta   110.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTeBr
_chemical_formula_sum   'Ga1 Te1 Br1'
_cell_volume   94.2
_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
  Ga  Ga0  1  0.89  0.89  0.89  1.0
  Te  Te1  1  0.12  0.12  0.12  1.0
  Br  Br2  1  0.74  0.74  0.74  1.0

Ga Te Br
Ga Te Br 0 2 o o o 0 1 o o - 