data_CrRuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.47
_cell_length_c   2.68
_cell_angle_alpha   82.09
_cell_angle_beta   74.38
_cell_angle_gamma   23.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRuW
_chemical_formula_sum   'Cr1 Ru1 W1'
_cell_volume   42.62
_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  0.55  0.19  0.02  1.0
  Ru  Ru1  1  0.55  0.19  0.31  1.0
  W  W2  1  0.55  0.19  0.25  1.0

data_CrRuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.09
_cell_length_b   12.57
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   125.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrRuW
_chemical_formula_sum   'Cr2 Ru2 W2'
_cell_volume   85.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.24  0.0  0.43  1.0
  Ru  Ru1  2  0.45  0.5  0.15  1.0
  W  W2  2  0.02  0.0  0.21  1.0

Cr Ru W