data_[Zr8Ti8Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5559]
_cell_length_b [5.5406]
_cell_length_c [9.0235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrTiRh]
_chemical_formula_sum '[Zr8 Ti8 Rh8]'
_cell_volume [427.7571]
_cell_formula_units_Z [8]
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  4  0.1838  0.0000  0.3285  1.0
  Zr  Zr1  4  0.2986  0.0000  0.6645  1.0
  Ti  Ti2  4  0.5000  0.2390  0.4131  1.0
  Ti  Ti3  2  0.0000  0.0000  0.8444  1.0
  Ti  Ti4  2  0.5000  0.0000  0.1656  1.0
  Rh  Rh5  4  0.0000  0.2447  0.5947  1.0
  Rh  Rh6  4  0.2583  0.0000  0.9942  1.0
]