data_Zr2TaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   134.95
_cell_angle_beta   134.95
_cell_angle_gamma   65.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaSn
_chemical_formula_sum   'Zr2 Ta1 Sn1'
_cell_volume   85.52
_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  Zr2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.14  0.0  0.34  1.0
  Ta  Ta1  1  0.0  0.14  0.34  1.0
  Sn  Sn0  1  0.0  0.0  0.69  1.0

data_Zr2TaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.58
_cell_angle_alpha   112.53
_cell_angle_beta   112.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaSn
_chemical_formula_sum   'Zr2 Ta1 Sn1'
_cell_volume   85.52
_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
  Zr  Zr1  1  0.34  0.21  0.21  1.0
  Ta  Ta2  1  0.21  0.34  0.21  1.0
  Sn  Sn3  1  0.69  0.69  0.69  1.0

Zr Zr Ta Sn