data_LaTaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.54
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaSn2
_chemical_formula_sum   'La1 Ta1 Sn2'
_cell_volume   99.45
_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  0.27  0.0  0.41  1.0
  Ta  Ta3  1  0.27  0.27  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.27  0.41  1.0

data_LaTaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.54
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTaSn2
_chemical_formula_sum   'La1 Ta1 Sn2'
_cell_volume   99.45
_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  0.27  0.0  0.41  1.0
  Ta  Ta1  1  0.27  0.27  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.27  0.41  1.0

La Ta Sn Sn
La Ta Sn Sn 0 3 o o o 1 2 o o o 