data_Zr2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   144.32
_cell_angle_beta   126.0
_cell_angle_gamma   66.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RuW
_chemical_formula_sum   'Zr2 Ru1 W1'
_cell_volume   72.66
_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  0.65  0.0  0.18  1.0
  Zr  Zr3  1  0.0  0.44  0.33  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.5  1.0

data_Zr2RuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.89
_cell_length_c   5.38
_cell_angle_alpha   117.0
_cell_angle_beta   107.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RuW
_chemical_formula_sum   'Zr2 Ru1 W1'
_cell_volume   72.66
_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  Zr0  1  0.0  0.18  0.53  1.0
  Zr  Zr1  1  0.56  0.88  0.88  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.5  0.5  1.0

Zr Zr Ru W