data_ZrRuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.76
_cell_length_c   2.88
_cell_angle_alpha   81.71
_cell_angle_beta   74.14
_cell_angle_gamma   24.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRuW
_chemical_formula_sum   'Zr1 Ru1 W1'
_cell_volume   51.34
_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
  Zr  Zr2  1  0.67  0.34  0.42  1.0
  Ru  Ru0  1  0.67  0.34  0.07  1.0
  W  W1  1  0.67  0.34  0.61  1.0

data_ZrRuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.35
_cell_length_b   13.11
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   125.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrRuW
_chemical_formula_sum   'Zr2 Ru2 W2'
_cell_volume   102.68
_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
  Zr  Zr0  2  0.42  0.0  0.1  1.0
  Ru  Ru1  2  0.07  0.0  0.75  1.0
  W  W2  2  0.11  0.5  0.29  1.0

Zr Ru W
Zr Ru W 0 2 o o o 0 1 o o o 