data_La2CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CuSn
_chemical_formula_sum   'La2 Cu1 Sn1'
_cell_volume   107.58
_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  La1  1  0.5  0.0  0.88  1.0
  La  La2  1  0.5  0.0  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.13  1.0

data_La2CuSn
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   La2CuSn
_chemical_formula_sum   'La2 Cu1 Sn1'
_cell_volume   107.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.5  0.0  0.38  1.0
  La  La1  1  0.5  0.0  0.88  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.13  1.0

La La Cu Sn
La La Cu Sn 0 2 o o + 0 2 + o + 1 3 o o o 1 3 + o o 2 3 o o o 