data_[Ba8In1Pt2Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5368]
_cell_length_b [9.8017]
_cell_length_c [7.6753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8InPt2Rh]
_chemical_formula_sum '[Ba8 In1 Pt2 Rh1]'
_cell_volume [566.8826]
_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
[
  Ba  Ba0  4  0.2274  0.2231  0.1776  1.0
  Ba  Ba1  2  0.2716  0.0000  0.6791  1.0
  Ba  Ba2  2  0.2918  0.5000  0.6541  1.0
  In  In3  1  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  2  0.5000  0.2446  0.5000  1.0
  Rh  Rh5  1  0.0000  0.0000  0.0000  1.0
]