data_Ta2CrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrIn
_chemical_formula_sum   'Ta2 Cr1 In1'
_cell_volume   70.67
_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  0.54  0.54  0.96  1.0
  Ta  Ta3  1  0.54  0.54  0.49  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.73  1.0

data_Ta2CrIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CrIn
_chemical_formula_sum   'Ta4 Cr2 In2'
_cell_volume   141.34
_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  0.04  0.5  0.49  1.0
  Ta  Ta1  2  0.04  0.5  0.96  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  In  In3  2  0.0  0.0  0.73  1.0

Ta Ta Cr In
Ta Ta Cr In 0 2 o o + 0 2 o + + 0 2 + o + 0 2 + + + 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 2 3 o o - 