data_CuBi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   35.2
_cell_angle_beta   35.2
_cell_angle_gamma   35.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBi2Ru
_chemical_formula_sum   'Cu1 Bi2 Ru1'
_cell_volume   94.0
_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  0.16  1.0
  Bi  Bi0  1  0.0  0.0  0.56  1.0
  Bi  Bi1  1  0.0  0.0  0.1  1.0
  Ru  Ru3  1  0.0  0.0  0.91  1.0

data_CuBi2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.14
_cell_length_b   4.12
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuBi2Ru
_chemical_formula_sum   'Cu2 Bi4 Ru2'
_cell_volume   187.99
_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  0.84  1.0
  Bi  Bi1  2  0.0  0.0  0.44  1.0
  Bi  Bi2  2  0.0  0.0  0.9  1.0
  Ru  Ru3  2  0.0  0.0  0.09  1.0

Cu Bi Bi Ru