data_K3Tb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   136.47
_cell_angle_beta   136.47
_cell_angle_gamma   63.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Tb
_chemical_formula_sum   'K3 Tb1'
_cell_volume   225.27
_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  0.91  0.0  0.34  1.0
  K  K1  1  0.0  0.91  0.34  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Tb  Tb3  1  0.0  0.0  0.67  1.0

data_K3Tb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   121.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K3Tb
_chemical_formula_sum   'K6 Tb2'
_cell_volume   450.55
_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  4  0.12  0.45  0.57  1.0
  K  K1  2  0.0  0.0  0.0  1.0
  Tb  Tb2  2  0.33  0.0  0.33  1.0

K K K Tb
K K K Tb 0 1 + - o 0 3 + o o 1 3 o + o 2 3 o o - 