data_LiPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   145.8
_cell_angle_beta   139.22
_cell_angle_gamma   54.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtSe2
_chemical_formula_sum   'Li1 Pt1 Se2'
_cell_volume   89.57
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.57  1.0
  Se  Se2  1  0.0  0.18  0.64  1.0
  Se  Se3  1  0.84  0.0  0.93  1.0

data_LiPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.36
_cell_length_c   6.26
_cell_angle_alpha   110.39
_cell_angle_beta   107.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtSe2
_chemical_formula_sum   'Li1 Pt1 Se2'
_cell_volume   89.57
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.43  0.43  0.43  1.0
  Se  Se2  1  0.36  0.54  0.54  1.0
  Se  Se3  1  0.91  0.07  0.91  1.0

Li Pt Se Se