data_[Al3V12Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.7808]
_cell_length_b [4.7850]
_cell_length_c [9.6339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Al3V12Rh]
_chemical_formula_sum '[Al3 V12 Rh1]'
_cell_volume [220.3906]
_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
[
  Al  Al0  2  0.5000  0.5000  0.2493  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  V  V2  4  0.2473  0.0000  0.2524  1
  V  V3  2  0.0000  0.5000  0.1308  1
  V  V4  2  0.0000  0.5000  0.3799  1
  V  V5  2  0.5000  0.2497  0.5000  1
  V  V6  2  0.5000  0.2576  0.0000  1
  Rh  Rh7  1  0.0000  0.0000  0.5000  1
]