data_LaSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   148.45
_cell_angle_beta   146.48
_cell_angle_gamma   46.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnSe2
_chemical_formula_sum   'La1 Sn1 Se2'
_cell_volume   115.48
_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  0.13  0.91  1.0
  Sn  Sn3  1  0.0  0.0  0.03  1.0
  Se  Se1  1  0.0  0.0  0.04  1.0
  Se  Se2  1  0.0  0.0  0.11  1.0

data_LaSnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   4.25
_cell_length_c   7.38
_cell_angle_alpha   106.76
_cell_angle_beta   105.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSnSe2
_chemical_formula_sum   'La1 Sn1 Se2'
_cell_volume   115.48
_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  0.09  0.22  0.22  1.0
  Sn  Sn1  1  0.97  0.97  0.97  1.0
  Se  Se2  1  0.9  0.89  0.9  1.0
  Se  Se3  1  0.96  0.96  0.96  1.0

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