# generated using pymatgen
data_Zr3TiNb2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.60510101
_cell_length_b   9.61831999
_cell_length_c   5.79776052
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.04553434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3TiNb2Sn5
_chemical_formula_sum   'Zr6 Ti2 Nb4 Sn10'
_cell_volume   463.65250443
_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  0.84445791  0.69136062  0.75000000  1.0
  Zr  Zr1  1  0.15554209  0.84690271  0.25000000  1.0
  Zr  Zr2  1  0.69082413  0.84541206  0.25000000  1.0
  Zr  Zr3  1  0.30917587  0.15458794  0.75000000  1.0
  Zr  Zr4  1  0.84445791  0.15309729  0.75000000  1.0
  Zr  Zr5  1  0.15554209  0.30863938  0.25000000  1.0
  Ti  Ti6  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti7  1  0.00000000  0.50000000  0.50000000  1.0
  Nb  Nb8  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb9  1  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb10  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb11  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn12  1  0.20689794  0.42228273  0.75000000  1.0
  Sn  Sn13  1  0.79310206  0.21538479  0.25000000  1.0
  Sn  Sn14  1  0.41897152  0.20948626  0.25000000  1.0
  Sn  Sn15  1  0.58102848  0.79051374  0.75000000  1.0
  Sn  Sn16  1  0.20689794  0.78461521  0.75000000  1.0
  Sn  Sn17  1  0.79310206  0.57771727  0.25000000  1.0
  Sn  Sn18  1  0.66971038  0.33485419  0.75000000  1.0
  Sn  Sn19  1  0.33028962  0.66514581  0.25000000  1.0
  Sn  Sn20  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn21  1  0.00000000  0.00000000  0.00000000  1.0