data_TaInNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   146.17
_cell_angle_beta   129.44
_cell_angle_gamma   62.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInNi2
_chemical_formula_sum   'Ta1 In1 Ni2'
_cell_volume   60.05
_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  0.51  0.0  0.33  1.0
  In  In0  1  0.0  0.0  0.79  1.0
  Ni  Ni1  1  0.51  0.0  0.13  1.0
  Ni  Ni2  1  0.0  0.0  0.13  1.0

data_TaInNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.45
_cell_length_c   5.21
_cell_angle_alpha   115.28
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInNi2
_chemical_formula_sum   'Ta1 In1 Ni2'
_cell_volume   60.05
_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  0.33  0.81  1.0
  In  In1  1  0.0  0.79  0.79  1.0
  Ni  Ni2  1  0.0  0.13  0.61  1.0
  Ni  Ni3  1  0.0  0.13  0.13  1.0

Ta In Ni Ni