data_Zn2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   146.57
_cell_angle_beta   129.73
_cell_angle_gamma   61.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuW
_chemical_formula_sum   'Zn2 Ru1 W1'
_cell_volume   59.11
_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
  Zn  Zn2  1  0.5  0.0  0.18  1.0
  Zn  Zn3  1  0.0  0.21  0.29  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.47  1.0

data_Zn2RuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.42
_cell_length_c   5.2
_cell_angle_alpha   115.14
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuW
_chemical_formula_sum   'Zn2 Ru1 W1'
_cell_volume   59.11
_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
  Zn  Zn0  1  0.0  0.18  0.68  1.0
  Zn  Zn1  1  0.79  0.08  0.08  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.47  0.47  1.0

Zn Zn Ru W
Zn Zn Ru W 0 2 o o o 0 3 + o o 1 2 o o o 1 3 o o o 