data_[Ba4Li4Ga4P8]
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 [12.9884]
_cell_length_b [4.1104]
_cell_length_c [9.9948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLiGaP2]
_chemical_formula_sum '[Ba4 Li4 Ga4 P8]'
_cell_volume [452.1117]
_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  0.1818  0.0000  0.6495  1.0
  Li  Li1  4  0.1464  0.5000  0.9311  1.0
  Ga  Ga2  4  0.0334  0.0000  0.1796  1.0
  P  P3  4  0.0529  0.5000  0.3362  1.0
  P  P4  4  0.1608  0.0000  0.0729  1.0
]