data_CuSnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.64
_cell_angle_alpha   100.62
_cell_angle_beta   100.62
_cell_angle_gamma   36.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnRu2
_chemical_formula_sum   'Cu1 Sn1 Ru2'
_cell_volume   61.1
_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  0.61  0.0  0.45  1.0
  Sn  Sn3  1  0.04  0.0  0.31  1.0
  Ru  Ru1  1  0.03  0.0  0.03  1.0
  Ru  Ru2  1  0.53  0.0  0.04  1.0

data_CuSnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.64
_cell_length_c   4.76
_cell_angle_alpha   100.62
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnRu2
_chemical_formula_sum   'Cu1 Sn1 Ru2'
_cell_volume   61.1
_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  0.45  0.61  1.0
  Sn  Sn1  1  0.0  0.31  0.04  1.0
  Ru  Ru2  1  0.0  0.03  0.03  1.0
  Ru  Ru3  1  0.0  0.04  0.53  1.0

Cu Sn Ru Ru