data_KZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   7.37
_cell_angle_alpha   94.8
_cell_angle_beta   94.8
_cell_angle_gamma   31.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Re
_chemical_formula_sum   'K1 Zn2 Re1'
_cell_volume   90.79
_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  0.0  0.59  1.0
  Zn  Zn2  1  0.32  0.0  0.37  1.0
  Zn  Zn3  1  0.96  0.0  0.09  1.0
  Re  Re1  1  0.8  0.0  0.96  1.0

data_KZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.87
_cell_length_c   7.37
_cell_angle_alpha   94.8
_cell_angle_beta   90.0
_cell_angle_gamma   105.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Re
_chemical_formula_sum   'K1 Zn2 Re1'
_cell_volume   90.79
_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  0.58  0.41  1.0
  Zn  Zn1  1  0.0  0.04  0.91  1.0
  Zn  Zn2  1  0.0  0.68  0.63  1.0
  Re  Re3  1  0.0  0.2  0.04  1.0

K Zn Zn Re