data_[Ce6Ho4Ta2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9192]
_cell_length_b [10.2478]
_cell_length_c [6.0092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Ho2TaN6]
_chemical_formula_sum '[Ce6 Ho4 Ta2 N12]'
_cell_volume [344.3762]
_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
[
  Ce  Ce0  4  0.0000  0.1681  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  4  0.0000  0.3335  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2291  0.1544  0.2242  1.0
  N  N5  4  0.2328  0.0000  0.7705  1.0
]