data_[Ba12P2N4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4816]
_cell_length_b [12.9762]
_cell_length_c [8.1182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6PN2Cl3]
_chemical_formula_sum '[Ba12 P2 N4 Cl6]'
_cell_volume [748.8232]
_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  8  0.2495  0.1818  0.2004  1
  Ba  Ba1  4  0.2049  0.5000  0.2015  1
  P  P2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.0000  0.3324  0.0000  1
  Cl  Cl4  4  0.0000  0.1620  0.5000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]