data_[Zr2Mo2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3824]
_cell_length_b [2.9055]
_cell_length_c [4.8948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrMoRh2]
_chemical_formula_sum '[Zr2 Mo2 Rh4]'
_cell_volume [131.4549]
_cell_formula_units_Z [2]
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  0.4928  0.0000  0.4667  1
  Mo  Mo1  2  0.2628  0.0000  0.8010  1
  Rh  Rh2  2  0.0025  0.0000  0.9648  1
  Rh  Rh3  2  0.2419  0.5000  0.2676  1
]