data_[Li2B12P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.2864]
_cell_length_b [2.9631]
_cell_length_c [3.0954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(B3P)2]
_chemical_formula_sum '[Li2 B12 P4]'
_cell_volume [193.9656]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  B  B1  4  0.0424  0.5000  0.5051  1
  B  B2  4  0.0845  0.5000  0.0354  1
  B  B3  4  0.0931  0.0000  0.6812  1
  P  P4  4  0.1534  0.0000  0.2356  1
]