data_LaPtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.51
_cell_length_c   3.74
_cell_angle_alpha   73.68
_cell_angle_beta   67.49
_cell_angle_gamma   38.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPtSe
_chemical_formula_sum   'La1 Pt1 Se1'
_cell_volume   68.41
_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  0.41  0.86  0.86  1.0
  Pt  Pt1  1  0.41  0.86  0.82  1.0
  Se  Se2  1  0.41  0.86  0.15  1.0

data_LaPtSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   9.92
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   130.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPtSe
_chemical_formula_sum   'La2 Pt2 Se2'
_cell_volume   136.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.5  0.27  1.0
  Pt  Pt1  2  0.32  0.5  0.23  1.0
  Se  Se2  2  0.15  0.0  0.56  1.0

La Pt Se
La Pt Se 0 1 o o o 0 2 o o + 1 2 o o + 