data_Cu2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   16.94
_cell_angle_beta   16.94
_cell_angle_gamma   16.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2MoRu
_chemical_formula_sum   'Cu2 Mo1 Ru1'
_cell_volume   54.65
_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  0.63  1.0
  Cu  Cu1  1  0.0  0.0  0.09  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.36  1.0

data_Cu2MoRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   2.66
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   99.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2MoRu
_chemical_formula_sum   'Cu4 Mo2 Ru2'
_cell_volume   109.3
_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  2  0.0  0.0  0.37  1.0
  Cu  Cu1  2  0.0  0.0  0.91  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.64  1.0

Cu Cu Mo Ru