data_[Ba2Ca6Rh2]
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/m]
_cell_length_a [6.8755]
_cell_length_b [7.2457]
_cell_length_c [7.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCa3Rh]
_chemical_formula_sum '[Ba2 Ca6 Rh2]'
_cell_volume [370.9474]
_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
[
  Ba  Ba0  2  0.4049  0.2500  0.3768  1.0
  Ca  Ca1  4  0.0764  0.0035  0.7377  1.0
  Ca  Ca2  2  0.3938  0.7500  0.1241  1.0
  Rh  Rh3  2  0.1882  0.7500  0.4480  1.0
]