# generated using pymatgen
data_Zr2Cr3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14199305
_cell_length_b   5.08789289
_cell_length_c   8.68454943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cr3Fe
_chemical_formula_sum   'Zr8 Cr12 Fe4'
_cell_volume   359.76257143
_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  0.50000000  0.83407000  0.68624500  1
  Zr  Zr1  1  0.50000000  0.16681500  0.80824100  1
  Zr  Zr2  1  0.50000000  0.16681500  0.19175900  1
  Zr  Zr3  1  0.50000000  0.83407000  0.31375500  1
  Zr  Zr4  1  0.00000000  0.33407000  0.68624500  1
  Zr  Zr5  1  0.00000000  0.66681500  0.80824100  1
  Zr  Zr6  1  0.00000000  0.66681500  0.19175900  1
  Zr  Zr7  1  0.00000000  0.33407000  0.31375500  1
  Cr  Cr8  1  0.50000000  0.32968100  0.50000000  1
  Cr  Cr9  1  0.25275900  0.91515100  0.00000000  1
  Cr  Cr10  1  0.74724100  0.91515100  0.00000000  1
  Cr  Cr11  1  0.50000000  0.66789800  0.00000000  1
  Cr  Cr12  1  0.50000000  0.50021600  0.25293600  1
  Cr  Cr13  1  0.50000000  0.50021600  0.74706400  1
  Cr  Cr14  1  0.00000000  0.82968100  0.50000000  1
  Cr  Cr15  1  0.75275900  0.41515100  0.00000000  1
  Cr  Cr16  1  0.24724100  0.41515100  0.00000000  1
  Cr  Cr17  1  0.00000000  0.16789800  0.00000000  1
  Cr  Cr18  1  0.00000000  0.00021600  0.25293600  1
  Cr  Cr19  1  0.00000000  0.00021600  0.74706400  1
  Fe  Fe20  1  0.74774600  0.08498500  0.50000000  1
  Fe  Fe21  1  0.25225400  0.08498500  0.50000000  1
  Fe  Fe22  1  0.24774600  0.58498500  0.50000000  1
  Fe  Fe23  1  0.75225400  0.58498500  0.50000000  1
