data_CuReAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   152.4
_cell_angle_beta   129.37
_cell_angle_gamma   58.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReAg2
_chemical_formula_sum   'Cu1 Re1 Ag2'
_cell_volume   62.93
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.89  1.0
  Ag  Ag0  1  0.34  0.0  0.33  1.0
  Ag  Ag1  1  0.0  0.4  0.57  1.0

data_CuReAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.8
_cell_length_c   5.61
_cell_angle_alpha   115.32
_cell_angle_beta   103.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReAg2
_chemical_formula_sum   'Cu1 Re1 Ag2'
_cell_volume   62.93
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.89  0.89  1.0
  Ag  Ag2  1  0.0  0.33  0.99  1.0
  Ag  Ag3  1  0.6  0.17  0.17  1.0

Cu Re Ag Ag
Cu Re Ag Ag 0 1 o o - 0 2 o o o 0 3 o - - 0 3 o o o 1 2 o o + 1 3 o - o 2 3 o - - 2 3 o o o 