data_LaPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   3.81
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   98.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtSe2
_chemical_formula_sum   'La1 Pt1 Se2'
_cell_volume   96.05
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.52  0.0  0.17  1.0
  Se  Se2  1  0.1  0.91  0.76  1.0
  Se  Se3  1  0.94  0.91  0.58  1.0

data_LaPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.97
_cell_length_c   6.41
_cell_angle_alpha   98.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtSe2
_chemical_formula_sum   'La1 Pt1 Se2'
_cell_volume   96.05
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.48  0.83  1.0
  Se  Se2  1  0.09  0.06  0.42  1.0
  Se  Se3  1  0.09  0.9  0.24  1.0

La Pt Se Se