data_LiLaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.64
_cell_length_c   3.7
_cell_angle_alpha   74.92
_cell_angle_beta   67.73
_cell_angle_gamma   37.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaP
_chemical_formula_sum   'Li1 La1 P1'
_cell_volume   68.59
_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  0.33  0.87  0.24  1.0
  La  La0  1  0.33  0.87  0.09  1.0
  P  P2  1  0.33  0.87  0.2  1.0

data_LiLaP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   10.27
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   129.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaP
_chemical_formula_sum   'Li2 La2 P2'
_cell_volume   137.18
_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  0.33  0.0  0.57  1.0
  La  La1  2  0.33  0.0  0.42  1.0
  P  P2  2  0.33  0.0  0.53  1.0

Li La P