data_CuRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   134.28
_cell_angle_beta   134.28
_cell_angle_gamma   66.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRu2W
_chemical_formula_sum   'Cu1 Ru2 W1'
_cell_volume   56.16
_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  0.0  1.0
  Ru  Ru1  1  0.87  0.0  0.01  1.0
  Ru  Ru2  1  0.0  0.0  0.02  1.0
  W  W3  1  0.0  0.87  0.01  1.0

data_CuRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   4.81
_cell_angle_alpha   112.86
_cell_angle_beta   112.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRu2W
_chemical_formula_sum   'Cu1 Ru2 W1'
_cell_volume   56.16
_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  0.0  1.0
  Ru  Ru1  1  0.98  0.0  0.98  1.0
  Ru  Ru2  1  0.99  0.0  0.86  1.0
  W  W3  1  0.86  0.87  0.86  1.0

Cu Ru Ru W