data_TaInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   3.59
_cell_angle_alpha   92.75
_cell_angle_beta   92.75
_cell_angle_gamma   29.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInP2
_chemical_formula_sum   'Ta1 In1 P2'
_cell_volume   78.07
_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
  Ta  Ta3  1  0.78  0.0  0.42  1.0
  In  In0  1  0.74  0.0  0.01  1.0
  P  P1  1  0.1  0.0  0.27  1.0
  P  P2  1  0.39  0.0  0.27  1.0

data_TaInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.59
_cell_length_c   6.7
_cell_angle_alpha   92.75
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInP2
_chemical_formula_sum   'Ta1 In1 P2'
_cell_volume   78.07
_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
  Ta  Ta0  1  0.0  0.42  0.78  1.0
  In  In1  1  0.0  0.01  0.74  1.0
  P  P2  1  0.0  0.27  0.39  1.0
  P  P3  1  0.0  0.27  0.1  1.0

Ta In P P
Ta In P P 0 1 o o o 0 2 + o o 2 3 o o o 