data_Ba2ZrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.01
_cell_angle_alpha   98.33
_cell_angle_beta   98.33
_cell_angle_gamma   32.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrSn
_chemical_formula_sum   'Ba2 Zr1 Sn1'
_cell_volume   134.99
_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
  Ba  Ba0  1  0.39  0.0  0.56  1.0
  Ba  Ba1  1  0.24  0.0  0.38  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.81  0.0  0.97  1.0

data_Ba2ZrSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   6.01
_cell_length_c   6.52
_cell_angle_alpha   98.33
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrSn
_chemical_formula_sum   'Ba2 Zr1 Sn1'
_cell_volume   134.99
_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
  Ba  Ba0  1  0.0  0.38  0.24  1.0
  Ba  Ba1  1  0.0  0.56  0.39  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.97  0.81  1.0

Ba Ba Zr Sn