data_La2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   22.51
_cell_angle_beta   22.51
_cell_angle_gamma   22.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReSi
_chemical_formula_sum   'La2 Re1 Si1'
_cell_volume   102.94
_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  0.44  1.0
  La  La1  1  0.0  0.0  0.7  1.0
  Re  Re2  1  0.0  0.0  0.57  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_La2ReSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   3.62
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   103.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2ReSi
_chemical_formula_sum   'La4 Re2 Si2'
_cell_volume   205.87
_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
  La  La0  2  0.0  0.0  0.3  1.0
  La  La1  2  0.0  0.0  0.56  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Re  Re3  2  0.0  0.0  0.43  1.0

La La Re Si