data_TaCrIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.54
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrIn2
_chemical_formula_sum   'Ta1 Cr1 In2'
_cell_volume   73.93
_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  0.81  0.27  0.8  1.0
  Cr  Cr0  1  0.2  0.0  0.07  1.0
  In  In1  1  0.02  0.27  0.35  1.0
  In  In2  1  0.14  0.0  0.51  1.0

data_TaCrIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.54
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrIn2
_chemical_formula_sum   'Ta1 Cr1 In2'
_cell_volume   73.93
_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  0.81  0.27  0.8  1.0
  Cr  Cr1  1  0.2  0.0  0.07  1.0
  In  In2  1  0.02  0.27  0.35  1.0
  In  In3  1  0.14  0.0  0.51  1.0

Ta Cr In In