data_LiTaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   3.95
_cell_angle_alpha   97.29
_cell_angle_beta   97.29
_cell_angle_gamma   41.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaP2
_chemical_formula_sum   'Li1 Ta1 P2'
_cell_volume   60.01
_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  0.75  0.0  0.36  1.0
  Ta  Ta3  1  0.28  0.0  0.45  1.0
  P  P1  1  0.34  0.0  0.42  1.0
  P  P2  1  0.85  0.0  0.56  1.0

data_LiTaP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.95
_cell_length_c   4.82
_cell_angle_alpha   97.29
_cell_angle_beta   110.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaP2
_chemical_formula_sum   'Li1 Ta1 P2'
_cell_volume   60.01
_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  0.36  0.75  1.0
  Ta  Ta1  1  0.0  0.45  0.28  1.0
  P  P2  1  0.0  0.42  0.34  1.0
  P  P3  1  0.0  0.56  0.85  1.0

Li Ta P P