# generated using pymatgen
data_Zr2V3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22522435
_cell_length_b   5.22522435
_cell_length_c   12.18277733
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2V3Fe
_chemical_formula_sum   'Zr6 V9 Fe3'
_cell_volume   288.06256419
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.95927000  1
  Zr  Zr1  1  0.66666700  0.33333300  0.70739700  1
  Zr  Zr2  1  0.33333300  0.66666700  0.29260300  1
  Zr  Zr3  1  0.33333300  0.66666700  0.04073000  1
  Zr  Zr4  1  0.00000000  0.00000000  0.62593700  1
  Zr  Zr5  1  0.00000000  0.00000000  0.37406300  1
  V  V6  1  0.33333300  0.16666700  0.16666700  1
  V  V7  1  0.83333300  0.16666700  0.16666700  1
  V  V8  1  0.83333300  0.66666700  0.16666700  1
  V  V9  1  0.00000000  0.50000000  0.50000000  1
  V  V10  1  0.50000000  0.50000000  0.50000000  1
  V  V11  1  0.50000000  0.00000000  0.50000000  1
  V  V12  1  0.66666700  0.83333300  0.83333300  1
  V  V13  1  0.16666700  0.83333300  0.83333300  1
  V  V14  1  0.16666700  0.33333300  0.83333300  1
  Fe  Fe15  1  0.66666700  0.33333300  0.33333300  1
  Fe  Fe16  1  0.33333300  0.66666700  0.66666700  1
  Fe  Fe17  1  0.00000000  0.00000000  0.00000000  1
