data_Cu4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.15
_cell_length_b   12.15
_cell_length_c   12.15
_cell_angle_alpha   167.05
_cell_angle_beta   167.05
_cell_angle_gamma   18.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Ru3
_chemical_formula_sum   'Cu4 Ru3'
_cell_volume   90.15
_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  0.32  1.0
  Cu  Cu1  1  0.0  0.0  0.24  1.0
  Cu  Cu2  1  0.0  0.0  0.76  1.0
  Cu  Cu3  1  0.0  0.0  0.68  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.0  0.0  0.86  1.0
  Ru  Ru6  1  0.0  0.0  0.14  1.0

data_Cu4Ru3
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   12.15
_cell_angle_alpha   90.0
_cell_angle_beta   99.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Cu4Ru3
_chemical_formula_sum   'Cu8 Ru6'
_cell_volume   180.3
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.0  0.0  0.24  1.0
  Cu  Cu1  4  0.0  0.0  0.32  1.0
  Ru  Ru2  4  0.0  0.0  0.14  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Cu Cu Cu Cu Ru Ru Ru