data_[Ba6P4]
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
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [18.3956]
_cell_length_b [5.9725]
_cell_length_c [18.3956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba3P2]
_chemical_formula_sum '[Ba6 P4]'
_cell_volume [1750.2890]
_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  0.2883  0.0000  0.4153  1
  Ba  Ba1  2  0.4750  0.5000  0.3042  1
  Ba  Ba2  2  0.5000  0.2500  0.5000  1
  P  P3  2  0.3396  0.5000  0.3710  1
  P  P4  2  0.4435  0.0000  0.6107  1
]