data_KSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   129.07
_cell_angle_beta   129.07
_cell_angle_gamma   74.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Se
_chemical_formula_sum   'K1 Sn2 Se1'
_cell_volume   112.17
_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  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.57  1.0
  Sn  Sn3  1  0.0  0.48  0.29  1.0
  Se  Se1  1  0.48  0.0  0.29  1.0

data_KSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   5.76
_cell_angle_alpha   115.46
_cell_angle_beta   115.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Se
_chemical_formula_sum   'K1 Sn2 Se1'
_cell_volume   112.17
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.57  0.57  0.57  1.0
  Sn  Sn2  1  0.81  0.29  0.81  1.0
  Se  Se3  1  0.29  0.81  0.81  1.0

K Sn Sn Se