data_LaSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   6.39
_cell_angle_alpha   98.97
_cell_angle_beta   98.97
_cell_angle_gamma   53.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbSe2
_chemical_formula_sum   'La1 Sb1 Se2'
_cell_volume   118.49
_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  0.78  0.0  0.15  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.49  0.0  0.68  1.0
  Se  Se3  1  0.06  0.0  0.62  1.0

data_LaSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.85
_cell_length_c   6.39
_cell_angle_alpha   98.97
_cell_angle_beta   90.0
_cell_angle_gamma   116.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbSe2
_chemical_formula_sum   'La1 Sb1 Se2'
_cell_volume   118.49
_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  0.22  0.85  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.51  0.32  1.0
  Se  Se3  1  0.0  0.94  0.38  1.0

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