data_GaRe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   148.13
_cell_angle_beta   138.03
_cell_angle_gamma   53.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Si
_chemical_formula_sum   'Ga1 Re2 Si1'
_cell_volume   58.8
_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  0.97  0.19  1.0
  Re  Re1  1  0.0  0.0  0.29  1.0
  Re  Re2  1  0.51  0.0  0.69  1.0
  Si  Si3  1  0.0  0.0  0.66  1.0

data_GaRe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.95
_cell_length_c   5.51
_cell_angle_alpha   110.98
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Si
_chemical_formula_sum   'Ga1 Re2 Si1'
_cell_volume   58.8
_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  0.81  0.78  0.78  1.0
  Si  Si1  1  0.34  0.34  0.34  1.0
  Re  Re2  1  0.71  0.71  0.71  1.0
  Re  Re3  1  0.82  0.31  0.82  1.0

Ga Re Re Si
Ga Re Re Si 0 1 o + o 0 2 o + o 0 2 - + - 1 2 o o o 1 2 - o - 1 3 o o o 