data_[Zr2B2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9769]
_cell_length_b [5.7164]
_cell_length_c [5.5604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrBRh3]
_chemical_formula_sum '[Zr2 B2 Rh6]'
_cell_volume [142.6206]
_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  0.2848  0.2500  0.2842  1.0
  B  B1  2  0.0993  0.7500  0.4764  1.0
  Rh  Rh2  4  0.2404  0.0097  0.7689  1.0
  Rh  Rh3  2  0.2532  0.7500  0.1912  1.0
]