data_KZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   157.6
_cell_angle_beta   125.44
_cell_angle_gamma   59.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Re
_chemical_formula_sum   'K1 Zn2 Re1'
_cell_volume   92.07
_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
  Zn  Zn2  1  0.3  0.0  0.48  1.0
  Zn  Zn3  1  0.0  0.06  0.31  1.0
  Re  Re1  1  0.0  0.0  0.79  1.0

data_KZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   6.12
_cell_length_c   6.68
_cell_angle_alpha   117.28
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Re
_chemical_formula_sum   'K1 Zn2 Re1'
_cell_volume   92.07
_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
  Zn  Zn1  1  0.69  0.75  0.75  1.0
  Zn  Zn2  1  0.82  0.52  0.82  1.0
  Re  Re3  1  0.21  0.21  0.21  1.0

K Zn Zn Re
K Zn Zn Re 0 3 o o - 0 2 o o o 1 2 o o o 