# generated using pymatgen
data_ZrVFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06440925
_cell_length_b   5.06409628
_cell_length_c   8.31940800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.85487692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVFe
_chemical_formula_sum   'Zr4 V4 Fe4'
_cell_volume   186.35062747
_cell_formula_units_Z   4
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  0.33128400  0.33127800  0.56563100  1.0
  Zr  Zr1  1  0.66476000  0.66475000  0.44661400  1.0
  Zr  Zr2  1  0.66476000  0.66475000  0.05338600  1.0
  Zr  Zr3  1  0.33128400  0.33127800  0.93436900  1.0
  V  V4  1  0.83893700  0.83892200  0.75000000  1.0
  V  V5  1  0.16545000  0.66370200  0.25000000  1.0
  V  V6  1  0.66369700  0.16545800  0.25000000  1.0
  V  V7  1  0.16789500  0.16790100  0.25000000  1.0
  Fe  Fe8  1  0.99901300  0.99903600  0.50336300  1.0
  Fe  Fe9  1  0.99901300  0.99903600  0.99663700  1.0
  Fe  Fe10  1  0.83489000  0.33900800  0.75000000  1.0
  Fe  Fe11  1  0.33901600  0.83488200  0.75000000  1.0