data_CaRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.34
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRu2W
_chemical_formula_sum   'Ca1 Ru2 W1'
_cell_volume   67.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.17  0.48  1.0
  Ru  Ru2  1  0.56  0.17  0.0  1.0
  W  W3  1  0.56  0.0  0.48  1.0

data_CaRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.34
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRu2W
_chemical_formula_sum   'Ca1 Ru2 W1'
_cell_volume   67.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.17  0.48  1.0
  Ru  Ru2  1  0.56  0.17  -0.0  1.0
  W  W3  1  0.56  0.0  0.48  1.0

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