data_[Ca4Rh12C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2996]
_cell_length_b [5.7428]
_cell_length_c [5.4626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaRh3C]
_chemical_formula_sum '[Ca4 Rh12 C4]'
_cell_volume [296.4309]
_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  2  0.1039  0.5000  0.4054  1
  Ca  Ca1  2  0.3680  0.5000  0.9603  1
  Rh  Rh2  4  0.1144  0.2419  0.9318  1
  Rh  Rh3  4  0.3644  0.2431  0.4442  1
  Rh  Rh4  2  0.1237  0.0000  0.4303  1
  Rh  Rh5  2  0.3669  0.0000  0.8905  1
  C  C6  2  0.0084  0.0000  0.6368  1
  C  C7  2  0.2734  0.0000  0.1356  1
]