data_[Ba24Ge3P9Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3752]
_cell_length_b [9.3752]
_cell_length_c [23.2724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba8GeP3Cl4]
_chemical_formula_sum '[Ba24 Ge3 P9 Cl12]'
_cell_volume [1771.4843]
_cell_formula_units_Z [3]
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  18  0.0063  0.5031  0.2577  1.0
  Ba  Ba1  6  0.0000  0.0000  0.2599  1.0
  Ge  Ge2  3  0.0000  0.0000  0.0000  1.0
  P  P3  9  0.0000  0.5000  0.0000  1.0
  Cl  Cl4  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  3  -0.0000  -0.0000  0.5000  1.0
]