data_[Ba8Ca8Rh4]
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 [C2/m]
_cell_length_a [27.9726]
_cell_length_b [4.4821]
_cell_length_c [7.0747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ca2Rh]
_chemical_formula_sum '[Ba8 Ca8 Rh4]'
_cell_volume [873.0371]
_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  0.0530  0.0000  0.7881  1
  Ba  Ba1  4  0.1838  0.5000  0.0197  1
  Ca  Ca2  4  0.0776  0.5000  0.2988  1
  Ca  Ca3  4  0.1868  0.0000  0.5036  1
  Rh  Rh4  4  0.1228  0.0000  0.1595  1
]