data_ZrTa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   129.83
_cell_angle_beta   129.83
_cell_angle_gamma   73.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Sn
_chemical_formula_sum   'Zr1 Ta2 Sn1'
_cell_volume   80.45
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.15  1.0
  Ta  Ta2  1  0.0  0.2  0.08  1.0
  Sn  Sn0  1  0.2  0.0  0.08  1.0

data_ZrTa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.19
_cell_angle_alpha   115.08
_cell_angle_beta   115.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Sn
_chemical_formula_sum   'Zr1 Ta2 Sn1'
_cell_volume   80.45
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.12  0.2  0.12  1.0
  Ta  Ta2  1  0.85  0.0  0.85  1.0
  Sn  Sn3  1  0.92  0.0  0.12  1.0

Zr Ta Ta Sn
Zr Ta Ta Sn 0 2 o o o 0 3 o o o 0 1 o o o 