data_[Zr3Ru2Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.3007]
_cell_length_b [3.3007]
_cell_length_c [9.7850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Zr3Ru2Rh]
_chemical_formula_sum '[Zr3 Ru2 Rh1]'
_cell_volume [106.6020]
_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  2  0.0000  0.0000  0.3311  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  2  0.5000  0.5000  0.1679  1.0
  Rh  Rh3  1  0.5000  0.5000  0.5000  1.0
]