data_[Ba6Li8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6114]
_cell_length_b [7.0179]
_cell_length_c [15.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3(LiP)4]
_chemical_formula_sum '[Ba6 Li8 P8]'
_cell_volume [502.4833]
_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  0.0000  0.0000  0.3691  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Li  Li2  8  0.0000  0.1948  0.1791  1.0
  P  P3  4  0.0000  0.3386  0.0000  1.0
  P  P4  4  0.0000  0.5000  0.2875  1.0
]