data_LiZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnP
_chemical_formula_sum   'Li3 Zn3 P3'
_cell_volume   160.67
_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  1.0  0.36  0.38  1.0
  Li  Li1  1  1.0  0.36  0.77  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Zn  Zn6  1  0.0  0.0  0.64  1.0
  Zn  Zn7  1  0.0  0.0  0.51  1.0
  Zn  Zn8  1  1.0  0.36  0.0  1.0
  P  P3  1  0.04  0.18  0.57  1.0
  P  P4  1  0.04  0.18  0.97  1.0
  P  P5  1  0.04  0.18  0.18  1.0

data_LiZnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnP
_chemical_formula_sum   'Li3 Zn3 P3'
_cell_volume   160.67
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  1.0  0.36  0.38  1.0
  Li  Li2  1  1.0  0.36  0.77  1.0
  Zn  Zn3  1  0.0  0.0  0.51  1.0
  Zn  Zn4  1  0.0  0.0  0.64  1.0
  Zn  Zn5  1  1.0  0.36  0.0  1.0
  P  P6  1  0.04  0.18  0.18  1.0
  P  P7  1  0.04  0.18  0.57  1.0
  P  P8  1  0.04  0.18  0.97  1.0

Li Li Li Zn Zn Zn P P P