data_LiB3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB3P
_chemical_formula_sum   'Li2 B6 P2'
_cell_volume   97.32
_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  Li6  1  0.22  0.28  0.29  1.0
  Li  Li7  1  0.0  0.56  0.43  1.0
  B  B0  1  0.84  0.04  0.29  1.0
  B  B1  1  0.16  0.04  0.29  1.0
  B  B2  1  0.0  0.59  0.29  1.0
  B  B3  1  0.38  0.8  0.43  1.0
  B  B4  1  0.05  0.8  0.43  1.0
  B  B5  1  0.22  0.25  0.43  1.0
  P  P8  1  0.0  0.0  0.86  1.0
  P  P9  1  0.0  0.0  0.0  1.0

data_LiB3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB3P
_chemical_formula_sum   'Li2 B6 P2'
_cell_volume   97.32
_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  1  -0.0  0.56  0.43  1.0
  Li  Li1  1  0.22  0.28  0.29  1.0
  B  B2  1  -0.0  0.59  0.29  1.0
  B  B3  1  0.05  0.8  0.43  1.0
  B  B4  1  0.16  0.04  0.29  1.0
  B  B5  1  0.22  0.25  0.43  1.0
  B  B6  1  0.38  0.8  0.43  1.0
  B  B7  1  0.84  0.04  0.29  1.0
  P  P8  1  0.0  0.0  0.0  1.0
  P  P9  1  0.0  0.0  0.86  1.0

Li Li B B B B B B P P