data_K2ZrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   6.29
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   104.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrBi
_chemical_formula_sum   'K2 Zr1 Bi1'
_cell_volume   133.17
_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  K1  1  0.38  0.14  0.55  1.0
  K  K2  1  0.58  0.14  0.51  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.24  0.0  0.03  1.0

data_K2ZrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.26
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrBi
_chemical_formula_sum   'K2 Zr1 Bi1'
_cell_volume   133.17
_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  0.42  0.49  0.86  1.0
  K  K1  1  0.62  0.45  0.86  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.76  0.97  0.0  1.0

K K Zr Bi
K K Zr Bi 0 1 o o o 2 3 o o o 