data_[Ca8Rh4N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9445]
_cell_length_b [4.9393]
_cell_length_c [6.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2RhN2]
_chemical_formula_sum '[Ca8 Rh4 N8]'
_cell_volume [319.4150]
_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  4  0.0324  0.5000  0.2632  1.0
  Ca  Ca1  4  0.1799  0.0000  0.1028  1.0
  Rh  Rh2  4  0.1333  0.0000  0.6165  1.0
  N  N3  4  0.0167  0.0000  0.2824  1.0
  N  N4  4  0.1814  0.5000  0.1008  1.0
]