data_GaBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   4.24
_cell_angle_alpha   100.51
_cell_angle_beta   100.51
_cell_angle_gamma   25.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBTe2
_chemical_formula_sum   'Ga1 B1 Te2'
_cell_volume   103.76
_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  0.55  0.0  0.08  1.0
  B  B0  1  0.76  0.0  0.11  1.0
  Te  Te2  1  0.7  0.0  0.4  1.0
  Te  Te3  1  0.15  0.0  0.82  1.0

data_GaBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.24
_cell_length_c   7.61
_cell_angle_alpha   100.51
_cell_angle_beta   102.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBTe2
_chemical_formula_sum   'Ga1 B1 Te2'
_cell_volume   103.76
_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  0.0  0.08  0.55  1.0
  B  B1  1  0.0  0.11  0.76  1.0
  Te  Te2  1  0.0  0.4  0.7  1.0
  Te  Te3  1  0.0  0.82  0.15  1.0

Ga B Te Te
Ga B Te Te 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 + o o 1 3 + o - 2 3 + o o 3 3 + - o 