data_[Ca4Zr2Rh2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5396]
_cell_length_b [5.7091]
_cell_length_c [9.6227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2ZrRhO6]
_chemical_formula_sum '[Ca4 Zr2 Rh2 O12]'
_cell_volume [250.5492]
_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  0.2341  0.0535  0.2485  1.0
  Zr  Zr1  2  0.5000  0.0000  0.0000  1.0
  Rh  Rh2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1432  0.2073  0.9493  1.0
  O  O4  4  0.2416  0.6997  0.9476  1.0
  O  O5  4  0.3429  0.0329  0.7441  1.0
]