data_[Ba4Ca12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.7621]
_cell_length_b [6.7387]
_cell_length_c [14.0519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.0873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaCa3Rh]
_chemical_formula_sum '[Ba4 Ca12 Rh4]'
_cell_volume [779.6528]
_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
[
  Ba  Ba0  4  0.2474  0.7457  0.7053  1.0
  Ca  Ca1  4  0.0015  0.2418  0.6718  1.0
  Ca  Ca2  4  0.2484  0.2498  0.0310  1.0
  Ca  Ca3  4  0.4972  0.2259  0.9215  1.0
  Rh  Rh4  4  0.2393  0.5009  0.3754  1.0
]