data_Zr2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   145.01
_cell_angle_beta   135.3
_cell_angle_gamma   57.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbRu
_chemical_formula_sum   'Zr2 Sb1 Ru1'
_cell_volume   80.41
_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  0.0  0.0  0.03  1.0
  Zr  Zr3  1  0.76  0.0  0.81  1.0
  Sb  Sb1  1  0.0  0.23  0.25  1.0
  Ru  Ru0  1  0.0  0.0  0.16  1.0

data_Zr2SbRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.46
_cell_length_c   5.86
_cell_angle_alpha   112.35
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbRu
_chemical_formula_sum   'Zr2 Sb1 Ru1'
_cell_volume   80.41
_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  0.03  0.03  1.0
  Zr  Zr1  1  0.0  0.81  0.05  1.0
  Sb  Sb2  1  0.77  0.02  0.02  1.0
  Ru  Ru3  1  0.0  0.16  0.16  1.0

Zr Zr Sb Ru