data_KRe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   130.24
_cell_angle_beta   130.24
_cell_angle_gamma   73.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Ag
_chemical_formula_sum   'K1 Re2 Ag1'
_cell_volume   81.86
_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  0.0  1.0
  Re  Re2  1  0.2  0.0  0.11  1.0
  Re  Re3  1  0.0  0.0  0.21  1.0
  Ag  Ag0  1  0.0  0.2  0.11  1.0

data_KRe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.24
_cell_angle_alpha   114.88
_cell_angle_beta   114.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Ag
_chemical_formula_sum   'K1 Re2 Ag1'
_cell_volume   81.86
_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
  Re  Re1  1  0.11  0.9  0.9  1.0
  Re  Re2  1  0.21  0.21  0.21  1.0
  Ag  Ag3  1  0.9  0.11  0.9  1.0

K Re Re Ag
K Re Re Ag 0 3 o o o 0 1 o o o 0 2 o o o 