data_KBiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   6.83
_cell_angle_alpha   144.68
_cell_angle_beta   144.68
_cell_angle_gamma   50.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiSe
_chemical_formula_sum   'K1 Bi1 Se1'
_cell_volume   105.99
_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  0.1  1.0
  Bi  Bi0  1  0.0  0.0  0.65  1.0
  Se  Se2  1  0.0  0.0  0.59  1.0

data_KBiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   115.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBiSe
_chemical_formula_sum   'K2 Bi2 Se2'
_cell_volume   211.98
_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  0.1  0.0  0.1  1.0
  Bi  Bi1  2  0.15  0.5  0.65  1.0
  Se  Se2  2  0.09  0.5  0.59  1.0

K Bi Se