data_[Ba12As2P4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1675]
_cell_length_b [14.1854]
_cell_length_c [8.1222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6As(PCl)2]
_chemical_formula_sum '[Ba12 As2 P4 Cl4]'
_cell_volume [887.2452]
_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  0.2416  0.8292  0.7236  1.0
  Ba  Ba1  4  0.2378  0.5000  0.7231  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  P  P3  4  0.0000  0.3337  0.5000  1.0
  Cl  Cl4  4  0.0000  0.1669  0.0000  1.0
]