data_[Ba8Li4P8]
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 [C2/m]
_cell_length_a [11.6877]
_cell_length_b [4.4496]
_cell_length_c [11.3087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2LiP2]
_chemical_formula_sum '[Ba8 Li4 P8]'
_cell_volume [554.2206]
_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  4  0.0908  0.0000  0.9114  1.0
  Ba  Ba1  4  0.1974  0.5000  0.6485  1.0
  Li  Li2  4  0.0803  0.5000  0.3300  1.0
  P  P3  4  0.0394  0.0000  0.4208  1.0
  P  P4  4  0.1517  0.5000  0.1468  1.0
]