data_Cu2AgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   123.13
_cell_angle_beta   123.13
_cell_angle_gamma   84.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2AgRu
_chemical_formula_sum   'Cu2 Ag1 Ru1'
_cell_volume   56.31
_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  Cu1  1  0.0  0.09  0.62  1.0
  Cu  Cu2  1  0.09  0.0  0.62  1.0
  Ag  Ag0  1  0.0  0.0  0.24  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Cu2AgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   132.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2AgRu
_chemical_formula_sum   'Cu4 Ag2 Ru2'
_cell_volume   112.61
_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
  Cu  Cu0  4  0.42  0.04  0.47  1.0
  Ag  Ag1  2  0.26  0.5  0.76  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Cu Cu Ag Ru