data_KReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KReAg2
_chemical_formula_sum   'K1 Re1 Ag2'
_cell_volume   79.14
_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  K2  1  0.0  0.0  0.22  1.0
  Re  Re3  1  0.39  0.39  0.05  1.0
  Ag  Ag0  1  0.0  0.0  0.25  1.0
  Ag  Ag1  1  0.39  0.39  0.21  1.0

data_KReAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KReAg2
_chemical_formula_sum   'K2 Re2 Ag4'
_cell_volume   158.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.22  1.0
  Re  Re1  2  0.39  0.0  0.05  1.0
  Ag  Ag2  2  0.0  0.0  0.25  1.0
  Ag  Ag3  2  0.39  0.0  0.21  1.0

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