data_CrGa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.19
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   98.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Re
_chemical_formula_sum   'Cr1 Ga2 Re1'
_cell_volume   56.62
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.85  0.1  0.21  1.0
  Ga  Ga2  1  0.11  0.1  0.79  1.0
  Re  Re3  1  0.98  0.0  0.5  1.0

data_CrGa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.19
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   98.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGa2Re
_chemical_formula_sum   'Cr1 Ga2 Re1'
_cell_volume   56.62
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.11  0.1  0.79  1.0
  Ga  Ga2  1  0.85  0.1  0.21  1.0
  Re  Re3  1  0.98  0.0  0.5  1.0

Cr Ga Ga Re
Cr Ga Ga Re 0 1 - o o 0 2 o o - 1 3 o o o 2 3 - o o 