data_[Ca12As8Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7613]
_cell_length_b [15.0731]
_cell_length_c [5.6428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ca3As2Rh3]
_chemical_formula_sum '[Ca12 As8 Rh12]'
_cell_volume [660.1416]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  8  0.0194  0.6073  0.6265  1
  Ca  Ca1  4  0.1649  0.7500  0.0938  1
  As  As2  8  0.1347  0.1035  0.8798  1
  Rh  Rh3  8  0.1557  0.5377  0.1046  1
  Rh  Rh4  4  0.1842  0.2500  0.0694  1
]