data_ZrBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.1
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiRu2
_chemical_formula_sum   'Zr1 Bi1 Ru2'
_cell_volume   75.57
_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  Zr3  1  0.25  0.0  0.53  1.0
  Bi  Bi0  1  0.6  0.05  0.43  1.0
  Ru  Ru1  1  0.94  0.0  0.45  1.0
  Ru  Ru2  1  0.59  0.05  0.6  1.0

data_ZrBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.1
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBiRu2
_chemical_formula_sum   'Zr1 Bi1 Ru2'
_cell_volume   75.57
_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  0.25  0.0  0.53  1.0
  Bi  Bi1  1  0.6  0.05  0.43  1.0
  Ru  Ru2  1  0.59  0.05  0.6  1.0
  Ru  Ru3  1  0.94  0.0  0.45  1.0

Zr Bi Ru Ru
Zr Bi Ru Ru 0 2 - o o 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 