data_K2ReAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.48
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReAg
_chemical_formula_sum   'K2 Re1 Ag1'
_cell_volume   104.46
_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  0.11  0.24  0.0  1.0
  K  K2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.24  0.76  1.0
  Ag  Ag0  1  0.11  0.0  0.76  1.0

data_K2ReAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.48
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReAg
_chemical_formula_sum   'K2 Re1 Ag1'
_cell_volume   104.46
_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
  K  K1  1  0.11  0.24  0.0  1.0
  Re  Re2  1  0.0  0.24  0.76  1.0
  Ag  Ag3  1  0.11  0.0  0.76  1.0

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