data_[Ba4Li4Sn4P8]
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
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7398]
_cell_length_b [4.9020]
_cell_length_c [8.8582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLiSnP2]
_chemical_formula_sum '[Ba4 Li4 Sn4 P8]'
_cell_volume [545.0405]
_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  0.1548  0.5000  0.6829  1.0
  Li  Li1  4  0.1663  0.5000  0.0609  1.0
  Sn  Sn2  4  0.0618  0.0000  0.2010  1.0
  P  P3  4  0.1127  0.5000  0.3153  1.0
  P  P4  4  0.1350  0.0000  0.9339  1.0
]