data_GaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   116.83
_cell_angle_beta   116.83
_cell_angle_gamma   116.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe3
_chemical_formula_sum   'Ga1 Re3'
_cell_volume   60.21
_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  0.17  0.75  0.92  1.0
  Re  Re2  1  0.0  0.51  0.92  1.0
  Re  Re3  1  0.83  0.75  0.92  1.0

data_GaRe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   116.83
_cell_angle_beta   100.38
_cell_angle_gamma   100.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe3
_chemical_formula_sum   'Ga1 Re3'
_cell_volume   60.21
_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  0.92  0.09  0.17  1.0
  Re  Re2  1  0.92  0.75  0.17  1.0
  Re  Re3  1  0.92  0.92  0.41  1.0

Ga Re Re Re