data_[Ba12Ag2P4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  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 [20.3429]
_cell_length_b [4.6688]
_cell_length_c [9.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6AgP2Cl3]
_chemical_formula_sum '[Ba12 Ag2 P4 Cl6]'
_cell_volume [883.5545]
_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  4  0.0048  0.0000  0.2557  1
  Ba  Ba1  4  0.1659  0.5000  0.1083  1
  Ba  Ba2  4  0.1733  0.5000  0.5679  1
  Ag  Ag3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.1642  0.0000  0.3345  1
  Cl  Cl5  4  0.1696  0.0000  0.8335  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]