data_LaCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.32
_cell_angle_alpha   111.3
_cell_angle_beta   111.3
_cell_angle_gamma   36.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuSn2
_chemical_formula_sum   'La1 Cu1 Sn2'
_cell_volume   99.83
_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  0.56  0.0  0.46  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.57  0.0  0.95  1.0
  Sn  Sn3  1  0.55  0.0  0.96  1.0

data_LaCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.32
_cell_length_c   5.86
_cell_angle_alpha   111.3
_cell_angle_beta   108.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCuSn2
_chemical_formula_sum   'La1 Cu1 Sn2'
_cell_volume   99.83
_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  0.46  0.56  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.95  0.57  1.0
  Sn  Sn3  1  0.0  0.96  0.55  1.0

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