data_LaCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.4
_cell_length_c   3.44
_cell_angle_alpha   75.2
_cell_angle_beta   73.79
_cell_angle_gamma   31.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuSn
_chemical_formula_sum   'La1 Cu1 Sn1'
_cell_volume   70.12
_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  0.37  0.49  0.76  1.0
  Cu  Cu0  1  0.37  0.49  0.73  1.0
  Sn  Sn2  1  0.37  0.49  0.31  1.0

data_LaCuSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   11.9
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   133.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaCuSn
_chemical_formula_sum   'La2 Cu2 Sn2'
_cell_volume   140.24
_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  0.49  0.0  0.87  1.0
  Cu  Cu1  2  0.49  0.0  0.9  1.0
  Sn  Sn2  2  0.49  0.0  0.32  1.0

La Cu Sn
La Cu Sn 0 1 o o o 0 2 o o o 1 2 o o o 