data_[Ba4Li4In4P8]
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
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1192]
_cell_length_b [4.3277]
_cell_length_c [9.2556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLiInP2]
_chemical_formula_sum '[Ba4 Li4 In4 P8]'
_cell_volume [519.9140]
_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  0.1580  0.5000  0.6787  1.0
  Li  Li1  4  0.1771  0.5000  0.0592  1.0
  In  In2  4  0.0591  0.0000  0.1801  1.0
  P  P3  4  0.1287  0.5000  0.3255  1.0
  P  P4  4  0.1319  0.0000  0.9247  1.0
]