data_[Li4B4P4]
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 [Cm]
_cell_length_a [8.3270]
_cell_length_b [3.1599]
_cell_length_c [8.1922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiBP]
_chemical_formula_sum '[Li4 B4 P4]'
_cell_volume [187.9730]
_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
[
  Li  Li0  2  0.0009  0.0000  0.9536  1
  Li  Li1  2  0.0826  0.5000  0.4581  1
  B  B2  2  0.0506  0.5000  0.7547  1
  B  B3  2  0.2308  0.5000  0.9780  1
  P  P4  2  0.3514  0.0000  0.1124  1
  P  P5  2  0.4364  0.5000  0.6155  1
]