data_KSb2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSb2Se
_chemical_formula_sum   'K1 Sb2 Se1'
_cell_volume   113.75
_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
  Sb  Sb1  1  0.59  0.9  0.54  1.0
  Sb  Sb2  1  0.59  0.1  0.54  1.0
  Se  Se3  1  0.18  0.0  0.0  1.0

data_KSb2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   6.37
_cell_length_c   6.61
_cell_angle_alpha   118.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSb2Se
_chemical_formula_sum   'K1 Sb2 Se1'
_cell_volume   113.75
_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
  Sb  Sb1  1  0.54  0.1  0.69  1.0
  Sb  Sb2  1  0.54  0.9  0.49  1.0
  Se  Se3  1  0.0  0.0  0.18  1.0

K Sb Sb Se