data_LiTaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   6.92
_cell_angle_alpha   105.1
_cell_angle_beta   105.1
_cell_angle_gamma   60.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaP2
_chemical_formula_sum   'Li1 Ta1 P2'
_cell_volume   68.18
_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  0.0  0.0  1.0
  Ta  Ta3  1  0.94  0.0  0.3  1.0
  P  P1  1  0.93  0.0  0.74  1.0
  P  P2  1  0.95  0.0  0.86  1.0

data_LiTaP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   6.88
_cell_angle_alpha   90.74
_cell_angle_beta   103.86
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaP2
_chemical_formula_sum   'Li1 Ta1 P2'
_cell_volume   68.18
_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  0.0  0.0  1.0
  Ta  Ta1  1  0.64  0.0  0.7  1.0
  P  P2  1  0.09  0.0  0.14  1.0
  P  P3  1  0.19  0.0  0.26  1.0

Li Ta P P