data_[Ba2Ho4C4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0833]
_cell_length_b [6.1139]
_cell_length_c [6.1154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaHo2(CN3)2]
_chemical_formula_sum '[Ba2 Ho4 C4 N12]'
_cell_volume [341.1465]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.5000  1
  Ho  Ho1  4  0.1763  0.0000  0.8101  1
  C  C2  4  0.1628  0.0000  0.2539  1
  N  N3  8  0.2099  0.1877  0.1935  1
  N  N4  4  0.0746  0.0000  0.3680  1
]