data_LaRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   124.42
_cell_angle_beta   124.42
_cell_angle_gamma   82.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Sn
_chemical_formula_sum   'La1 Re2 Sn1'
_cell_volume   81.21
_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
  La  La0  1  0.33  0.0  0.88  1.0
  Re  Re1  1  0.0  0.0  0.75  1.0
  Re  Re2  1  0.0  0.33  0.88  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_LaRe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.99
_cell_angle_alpha   117.79
_cell_angle_beta   117.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Sn
_chemical_formula_sum   'La1 Re2 Sn1'
_cell_volume   81.21
_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
  La  La0  1  0.12  0.0  0.45  1.0
  Re  Re1  1  0.25  0.0  0.25  1.0
  Re  Re2  1  0.45  0.33  0.45  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

La Re Re Sn