data_[Ba4Ca8Co8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [11.7258]
_cell_length_b [8.0597]
_cell_length_c [9.1106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [BaCa2(CoN2)2]
_chemical_formula_sum '[Ba4 Ca8 Co8 N16]'
_cell_volume [861.0071]
_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
[
  Ba  Ba0  4  0.1073  0.7817  0.7712  1
  Ca  Ca1  4  0.1448  0.3542  0.5927  1
  Ca  Ca2  4  0.1621  0.8685  0.3682  1
  Co  Co3  4  0.0072  0.4259  0.8969  1
  Co  Co4  4  0.0143  0.9259  0.0688  1
  N  N5  4  0.1045  0.6274  0.4962  1
  N  N6  4  0.1256  0.0484  0.5739  1
  N  N7  4  0.1391  0.4469  0.8368  1
  N  N8  4  0.1496  0.8846  0.0985  1
]