data_LaGa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.56
_cell_angle_alpha   106.39
_cell_angle_beta   106.39
_cell_angle_gamma   46.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Re
_chemical_formula_sum   'La1 Ga2 Re1'
_cell_volume   84.69
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.82  0.0  0.4  1.0
  Ga  Ga1  1  0.08  0.0  0.89  1.0
  Re  Re3  1  0.45  0.0  0.64  1.0

data_LaGa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.69
_cell_length_c   5.56
_cell_angle_alpha   106.39
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Re
_chemical_formula_sum   'La1 Ga2 Re1'
_cell_volume   84.69
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.18  0.6  1.0
  Ga  Ga2  1  0.0  0.92  0.11  1.0
  Re  Re3  1  0.0  0.55  0.36  1.0

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