data_[Ba4Li2P2H2]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8602]
_cell_length_b [4.4108]
_cell_length_c [8.8951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2LiPH]
_chemical_formula_sum '[Ba4 Li2 P2 H2]'
_cell_volume [255.0397]
_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  0.1873  0.2500  0.4021  1.0
  Ba  Ba1  2  0.2335  0.2500  0.9586  1.0
  Li  Li2  2  0.4698  0.7500  0.2590  1.0
  P  P3  2  0.3496  0.7500  0.7013  1.0
  H  H4  2  0.1837  0.7500  0.1822  1.0
]