data_LiAsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   7.83
_cell_angle_alpha   160.97
_cell_angle_beta   160.97
_cell_angle_gamma   27.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAsP
_chemical_formula_sum   'Li1 As1 P1'
_cell_volume   51.08
_cell_formula_units_Z   1
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  Li1  1  0.0  0.0  0.98  1.0
  As  As0  1  0.0  0.0  0.8  1.0
  P  P2  1  0.0  0.0  0.68  1.0

data_LiAsP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   103.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiAsP
_chemical_formula_sum   'Li2 As2 P2'
_cell_volume   102.17
_cell_formula_units_Z   2
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  0.48  0.5  0.98  1.0
  As  As1  2  0.3  0.5  0.8  1.0
  P  P2  2  0.18  0.5  0.68  1.0

Li As P
Li As P 0 1 o o o 1 2 o o o 