data_[Ba8Ta4Mo4P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7291]
_cell_length_b [9.7291]
_cell_length_c [9.7291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ba2TaMoP6]
_chemical_formula_sum '[Ba8 Ta4 Mo4 P24]'
_cell_volume [920.9101]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.2500  1
  Ta  Ta1  4  0.0000  0.0000  0.0000  1
  Mo  Mo2  4  0.0000  0.0000  0.5000  1
  P  P3  24  0.0000  0.0000  0.2522  1
]