data_LiTeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   7.19
_cell_angle_alpha   115.64
_cell_angle_beta   115.64
_cell_angle_gamma   37.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeP2
_chemical_formula_sum   'Li1 Te1 P2'
_cell_volume   98.61
_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  Li0  1  0.45  0.0  0.98  1.0
  Te  Te3  1  0.07  0.0  0.85  1.0
  P  P1  1  0.86  0.0  0.63  1.0
  P  P2  1  0.99  0.0  0.13  1.0

data_LiTeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.04
_cell_length_c   6.76
_cell_angle_alpha   73.44
_cell_angle_beta   76.15
_cell_angle_gamma   71.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTeP2
_chemical_formula_sum   'Li1 Te1 P2'
_cell_volume   98.61
_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  Li0  1  0.0  0.47  0.98  1.0
  Te  Te1  1  0.0  0.22  0.85  1.0
  P  P2  1  0.0  0.23  0.63  1.0
  P  P3  1  0.0  0.87  0.13  1.0

Li Te P P
Li Te P P 0 1 o o o 0 3 o o + 1 2 - o o 1 3 - o + 