# generated using pymatgen
data_Zr3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14125056
_cell_length_b   5.71181020
_cell_length_c   6.11438188
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sn
_chemical_formula_sum   'Zr6 Sn2'
_cell_volume   179.55400517
_cell_formula_units_Z   2
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  0.00000000  0.64804417  0.25073375  1.0
  Zr  Zr1  1  -0.00000000  0.13434866  0.50000000  1.0
  Zr  Zr2  1  0.00000000  0.64804417  0.74926625  1.0
  Zr  Zr3  1  0.50000000  0.86565134  0.00000000  1.0
  Zr  Zr4  1  0.50000000  0.35195583  0.24926625  1.0
  Zr  Zr5  1  0.50000000  0.35195583  0.75073375  1.0
  Sn  Sn6  1  -0.00000000  0.16474382  0.00000000  1.0
  Sn  Sn7  1  0.50000000  0.83525618  0.50000000  1.0