data_[Ca8Mn4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8900]
_cell_length_b [5.6991]
_cell_length_c [7.7294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca2MnRh2]
_chemical_formula_sum '[Ca8 Mn4 Rh8]'
_cell_volume [425.3395]
_cell_formula_units_Z [4]
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  8  0.1482  0.3658  0.1467  1.0
  Mn  Mn1  4  0.0000  0.1065  0.7500  1.0
  Rh  Rh2  8  0.1324  0.1354  0.5029  1.0
]