data_Ta2SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.99
_cell_angle_alpha   108.54
_cell_angle_beta   108.54
_cell_angle_gamma   32.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnIr
_chemical_formula_sum   'Ta2 Sn1 Ir1'
_cell_volume   72.83
_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  0.46  0.0  0.69  1.0
  Ta  Ta3  1  0.4  0.0  0.35  1.0
  Sn  Sn1  1  0.16  0.0  0.58  1.0
  Ir  Ir0  1  0.33  0.0  0.14  1.0

data_Ta2SnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.99
_cell_length_c   5.37
_cell_angle_alpha   108.54
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SnIr
_chemical_formula_sum   'Ta2 Sn1 Ir1'
_cell_volume   72.83
_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  0.35  0.4  1.0
  Ta  Ta1  1  0.0  0.69  0.46  1.0
  Sn  Sn2  1  0.0  0.58  0.16  1.0
  Ir  Ir3  1  0.0  0.14  0.33  1.0

Ta Ta Sn Ir
Ta Ta Sn Ir 0 2 o o o 0 1 o o o 1 3 o o o 