data_[Ba10Ga2P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.3839]
_cell_length_b [9.3839]
_cell_length_c [10.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ba5GaP8]
_chemical_formula_sum '[Ba10 Ga2 P16]'
_cell_volume [888.4500]
_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  0.1780  0.7451  0.8917  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  2  0.0000  0.5000  0.2500  1
  P  P3  8  0.0337  0.2684  0.3480  1
  P  P4  8  0.0607  0.8950  0.1978  1
]