data_[Ca4B4Pt2Rh10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.9129]
_cell_length_b [9.9129]
_cell_length_c [2.9657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2B2PtRh5]
_chemical_formula_sum '[Ca4 B4 Pt2 Rh10]'
_cell_volume [291.4298]
_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
[
  Ca  Ca0  4  0.1789  0.3211  0.0000  1
  B  B1  4  0.1213  0.6213  0.0000  1
  Rh  Rh2  8  0.0688  0.7714  0.5000  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  Rh  Rh4  2  0.0000  0.5000  0.5000  1
]