data_Ta2InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38
_cell_length_b   8.38
_cell_length_c   8.38
_cell_angle_alpha   22.16
_cell_angle_beta   22.16
_cell_angle_gamma   22.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2InP
_chemical_formula_sum   'Ta2 In1 P1'
_cell_volume   73.4
_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  0.0  0.0  0.01  1.0
  Ta  Ta3  1  0.0  0.0  0.5  1.0
  In  In0  1  0.0  0.0  0.25  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Ta2InP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   3.22
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   102.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2InP
_chemical_formula_sum   'Ta4 In2 P2'
_cell_volume   146.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.5  1.0
  Ta  Ta1  2  0.0  0.0  0.99  1.0
  In  In2  2  0.0  0.0  0.75  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ta Ta In P