data_LiBP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBP
_chemical_formula_sum   'Li2 B2 P2'
_cell_volume   68.14
_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  Li2  1  0.99  0.15  0.73  1.0
  Li  Li3  1  0.0  0.3  0.24  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.0  0.49  1.0
  P  P4  1  0.99  0.15  0.24  1.0
  P  P5  1  0.0  0.3  0.73  1.0

data_LiBP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   6.89
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBP
_chemical_formula_sum   'Li4 B4 P4'
_cell_volume   136.28
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.16  0.0  0.73  1.0
  Li  Li1  2  0.3  0.0  0.24  1.0
  B  B2  2  0.01  0.0  0.0  1.0
  B  B3  2  0.01  0.0  0.49  1.0
  P  P4  2  0.16  0.0  0.24  1.0
  P  P5  2  0.3  0.0  0.73  1.0

Li Li B B P P
Li Li B B P P 0 5 + o o 0 2 + o + 0 3 + o o 1 4 - o o 2 4 - o o 3 4 - o o 