data_[Ba4Li2Ga4P8]
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
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5255]
_cell_length_b [4.2766]
_cell_length_c [6.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li(GaP2)2]
_chemical_formula_sum '[Ba4 Li2 Ga4 P8]'
_cell_volume [420.7610]
_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  0.1242  0.0000  0.5623  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1667  0.5000  0.0039  1.0
  P  P3  4  0.0094  0.5000  0.8062  1.0
  P  P4  4  0.2174  0.0000  0.1917  1.0
]