data_[Ba2Th2Co2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.3393]
_cell_length_b [4.5235]
_cell_length_c [7.2460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [BaThCoN2]
_chemical_formula_sum '[Ba2 Th2 Co2 N4]'
_cell_volume [201.6153]
_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  0.5000  0.1562  0.2500  1
  Th  Th1  2  0.0000  0.4721  0.7500  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.2165  0.2943  0.5362  1
]