data_KInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   29.71
_cell_angle_beta   29.71
_cell_angle_gamma   29.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInSe2
_chemical_formula_sum   'K1 In1 Se2'
_cell_volume   112.88
_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  K1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.52  1.0
  Se  Se2  1  0.0  0.0  0.36  1.0
  Se  Se3  1  0.0  0.0  0.68  1.0

data_KInSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.14
_cell_length_b   4.12
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   107.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KInSe2
_chemical_formula_sum   'K2 In2 Se4'
_cell_volume   225.76
_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
  K  K0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.48  1.0
  Se  Se2  2  0.0  0.0  0.32  1.0
  Se  Se3  2  0.0  0.0  0.64  1.0

K In Se Se