data_CaRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRuW2
_chemical_formula_sum   'Ca1 Ru1 W2'
_cell_volume   69.87
_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  0.67  0.0  0.0  1.0
  W  W2  1  0.33  0.6  0.37  1.0
  W  W3  1  0.33  0.4  0.37  1.0

data_CaRuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   5.34
_cell_length_c   5.48
_cell_angle_alpha   119.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRuW2
_chemical_formula_sum   'Ca1 Ru1 W2'
_cell_volume   69.87
_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  0.0  0.67  1.0
  W  W2  1  0.37  0.4  0.73  1.0
  W  W3  1  0.37  0.6  0.94  1.0

Ca Ru W W