data_CrRuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuW2
_chemical_formula_sum   'Cr1 Ru1 W2'
_cell_volume   58.49
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.08  0.0  0.0  1.0
  W  W2  1  0.54  0.44  0.53  1.0
  W  W3  1  0.54  0.56  0.53  1.0

data_CrRuW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrRuW2
_chemical_formula_sum   'Cr1 Ru1 W2'
_cell_volume   58.5
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.08  1.0
  W  W2  2  0.53  0.44  0.54  1.0

Cr Ru W W
Cr Ru W W 0 1 o o o 2 3 o o o 