data_LaAgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.74
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgSn2
_chemical_formula_sum   'La1 Ag1 Sn2'
_cell_volume   107.26
_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  0.63  0.0  0.31  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.99  0.37  0.06  1.0
  Sn  Sn3  1  0.27  0.37  0.57  1.0

data_LaAgSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.74
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAgSn2
_chemical_formula_sum   'La1 Ag1 Sn2'
_cell_volume   107.26
_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  0.63  0.0  0.31  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.27  0.37  0.57  1.0
  Sn  Sn3  1  0.99  0.37  0.06  1.0

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