data_K2PtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   145.71
_cell_angle_beta   109.47
_cell_angle_gamma   80.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PtSe2
_chemical_formula_sum   'K2 Pt1 Se2'
_cell_volume   140.27
_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
  K  K0  1  0.0  0.73  0.95  1.0
  K  K1  1  0.91  0.0  0.97  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.1  0.92  1.0
  Se  Se4  1  0.91  0.63  0.0  1.0

data_K2PtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   70.53
_cell_angle_beta   72.85
_cell_angle_gamma   72.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PtSe2
_chemical_formula_sum   'K2 Pt1 Se2'
_cell_volume   140.27
_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
  K  K0  1  0.06  0.91  0.03  1.0
  K  K1  1  0.95  0.0  0.78  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.09  0.91  0.63  1.0
  Se  Se4  1  0.92  0.0  0.18  1.0

K K Pt Se Se
K K Pt Se Se 0 4 - o + 1 2 + o + 1 3 + o o 2 3 o o - 