data_Cu2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.05
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   103.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RuW
_chemical_formula_sum   'Cu2 Ru1 W1'
_cell_volume   55.23
_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  0.36  0.0  0.03  1.0
  Cu  Cu1  1  0.07  0.03  0.23  1.0
  Ru  Ru2  1  0.73  0.0  0.52  1.0
  W  W3  1  0.74  0.03  0.8  1.0

data_Cu2RuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.05
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   103.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2RuW
_chemical_formula_sum   'Cu2 Ru1 W1'
_cell_volume   55.23
_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  0.07  0.03  0.23  1.0
  Cu  Cu1  1  0.36  0.0  0.03  1.0
  Ru  Ru2  1  0.73  0.0  0.52  1.0
  W  W3  1  0.74  0.03  0.8  1.0

Cu Cu Ru W
Cu Cu Ru W 0 3 - o - 0 3 o o - 0 1 o o o 2 3 o o o 