data_[Ba4P14Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3961]
_cell_length_b [6.8882]
_cell_length_c [11.8337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2P7Cl]
_chemical_formula_sum '[Ba4 P14 Cl2]'
_cell_volume [519.1766]
_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  0.0671  0.7500  0.3471  1
  Ba  Ba1  2  0.2708  0.7500  0.9543  1
  P  P2  4  0.3544  0.5794  0.6868  1
  P  P3  4  0.3829  0.0053  0.1949  1
  P  P4  2  0.1736  0.2500  0.4069  1
  P  P5  2  0.1776  0.2500  0.2221  1
  P  P6  2  0.4909  0.7500  0.5499  1
  Cl  Cl7  2  0.1353  0.2500  0.9111  1
]