data_[Ca4Pr6Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6638]
_cell_length_b [3.9625]
_cell_length_c [9.2931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Pr3Rh2]
_chemical_formula_sum '[Ca4 Pr6 Rh4]'
_cell_volume [414.5110]
_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  0.1718  0.0000  0.8074  1.0
  Pr  Pr1  4  0.1161  0.5000  0.4298  1.0
  Pr  Pr2  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh3  4  0.1714  0.0000  0.2474  1.0
]