data_GaBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.58
_cell_angle_alpha   99.64
_cell_angle_beta   99.64
_cell_angle_gamma   34.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBTe2
_chemical_formula_sum   'Ga1 B1 Te2'
_cell_volume   94.07
_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  0.74  0.0  0.74  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.6  0.0  0.35  1.0
  Te  Te3  1  0.89  0.0  0.14  1.0

data_GaBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.48
_cell_length_c   5.58
_cell_angle_alpha   99.64
_cell_angle_beta   90.0
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBTe2
_chemical_formula_sum   'Ga1 B1 Te2'
_cell_volume   94.07
_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  0.26  0.26  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.11  0.86  1.0
  Te  Te3  1  0.0  0.4  0.65  1.0

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