data_LiYP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYP
_chemical_formula_sum   'Li3 Y3 P3'
_cell_volume   166.92
_cell_formula_units_Z   3
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  0.65  0.0  0.99  1.0
  Li  Li1  1  0.17  0.43  0.99  1.0
  Li  Li2  1  0.65  0.6  0.99  1.0
  Y  Y6  1  0.13  0.0  0.0  1.0
  Y  Y7  1  0.93  0.58  0.0  1.0
  Y  Y8  1  0.41  0.44  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  P  P4  1  0.0  0.02  0.99  1.0
  P  P5  1  0.48  0.01  0.99  1.0

data_LiYP
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.96
_cell_length_b   3.98
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiYP
_chemical_formula_sum   'Li3 Y3 P3'
_cell_volume   166.92
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.17  0.0  0.43  1.0
  Li  Li1  1  0.65  0.0  0.0  1.0
  Li  Li2  1  0.65  0.0  0.6  1.0
  Y  Y3  1  0.13  0.0  0.0  1.0
  Y  Y4  1  0.41  0.0  0.44  1.0
  Y  Y5  1  0.93  0.0  0.58  1.0
  P  P6  1  0.0  0.0  0.0  1.0
  P  P7  1  0.0  0.0  0.02  1.0
  P  P8  1  0.48  0.0  0.01  1.0

Li Li Li Y Y Y P P P