data_Ta2InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InP
_chemical_formula_sum   'Ta2 In1 P1'
_cell_volume   77.6
_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  Ta2  1  0.79  0.0  0.12  1.0
  Ta  Ta3  1  0.0  0.0  0.14  1.0
  In  In0  1  0.79  0.0  0.72  1.0
  P  P1  1  0.0  0.0  0.86  1.0

data_Ta2InP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InP
_chemical_formula_sum   'Ta2 In1 P1'
_cell_volume   77.6
_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  0.0  0.14  1.0
  Ta  Ta1  1  0.79  0.0  0.12  1.0
  In  In2  1  0.79  0.0  0.72  1.0
  P  P3  1  0.0  0.0  0.86  1.0

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