data_LiTa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   154.53
_cell_angle_beta   143.75
_cell_angle_gamma   44.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2P
_chemical_formula_sum   'Li1 Ta2 P1'
_cell_volume   68.25
_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  Ta2  1  0.42  0.0  0.79  1.0
  Ta  Ta3  1  0.0  0.01  0.18  1.0
  P  P1  1  0.0  0.0  0.97  1.0

data_LiTa2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.02
_cell_length_c   6.46
_cell_angle_alpha   108.13
_cell_angle_beta   102.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2P
_chemical_formula_sum   'Li1 Ta2 P1'
_cell_volume   68.25
_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  0.0  0.79  0.36  1.0
  Ta  Ta2  1  0.99  0.17  0.17  1.0
  P  P3  1  0.0  0.97  0.97  1.0

Li Ta Ta P