data_Ta2CrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   143.26
_cell_angle_beta   129.08
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrSn
_chemical_formula_sum   'Ta2 Cr1 Sn1'
_cell_volume   69.25
_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  0.08  1.0
  Ta  Ta3  1  0.68  0.0  0.42  1.0
  Cr  Cr0  1  0.0  0.0  0.41  1.0
  Sn  Sn1  1  0.0  0.29  0.11  1.0

data_Ta2CrSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.58
_cell_length_c   5.33
_cell_angle_alpha   115.46
_cell_angle_beta   108.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrSn
_chemical_formula_sum   'Ta2 Cr1 Sn1'
_cell_volume   69.25
_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  0.26  0.58  0.26  1.0
  Ta  Ta1  1  0.92  0.92  0.92  1.0
  Cr  Cr2  1  0.59  0.59  0.59  1.0
  Sn  Sn3  1  0.89  0.18  0.18  1.0

Ta Ta Cr Sn
Ta Ta Cr Sn 0 3 o o o 0 2 o o o 1 2 + o o 1 3 + o + 