data_GaRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   20.97
_cell_angle_beta   20.97
_cell_angle_gamma   20.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Te
_chemical_formula_sum   'Ga1 Re2 Te1'
_cell_volume   67.43
_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  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.53  1.0
  Re  Re2  1  0.0  0.0  0.23  1.0
  Te  Te3  1  0.0  0.0  0.38  1.0

data_GaRe2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   3.07
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   102.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaRe2Te
_chemical_formula_sum   'Ga2 Re4 Te2'
_cell_volume   134.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  -0.0  0.0  0.47  1.0
  Re  Re2  2  0.0  0.0  0.77  1.0
  Te  Te3  2  0.0  0.0  0.62  1.0

Ga Re Re Te
Ga Re Re Te 0 2 o o o 1 3 o o o 2 3 o o o 