# generated using pymatgen
data_ZrMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16446398
_cell_length_b   4.94659254
_cell_length_c   8.61851473
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnFe
_chemical_formula_sum   'Zr8 Mn8 Fe8'
_cell_volume   348.06971991
_cell_formula_units_Z   8
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  0.66677400  0.18600700  1
  Zr  Zr1  1  0.50000000  0.83355700  0.31277300  1
  Zr  Zr2  1  0.50000000  0.83355700  0.68722700  1
  Zr  Zr3  1  0.00000000  0.66677400  0.81399300  1
  Zr  Zr4  1  0.50000000  0.16677400  0.18600700  1
  Zr  Zr5  1  0.00000000  0.33355700  0.31277300  1
  Zr  Zr6  1  0.00000000  0.33355700  0.68722700  1
  Zr  Zr7  1  0.50000000  0.16677400  0.81399300  1
  Mn  Mn8  1  0.50000000  0.66604200  0.00000000  1
  Mn  Mn9  1  0.75396200  0.58458000  0.50000000  1
  Mn  Mn10  1  0.24603800  0.58458000  0.50000000  1
  Mn  Mn11  1  0.00000000  0.83069700  0.50000000  1
  Mn  Mn12  1  0.00000000  0.16604200  0.00000000  1
  Mn  Mn13  1  0.25396200  0.08458000  0.50000000  1
  Mn  Mn14  1  0.74603800  0.08458000  0.50000000  1
  Mn  Mn15  1  0.50000000  0.33069700  0.50000000  1
  Fe  Fe16  1  0.00000000  0.99984300  0.25418000  1
  Fe  Fe17  1  0.00000000  0.99984300  0.74582000  1
  Fe  Fe18  1  0.75040000  0.91663600  0.00000000  1
  Fe  Fe19  1  0.24960000  0.91663600  0.00000000  1
  Fe  Fe20  1  0.50000000  0.49984300  0.25418000  1
  Fe  Fe21  1  0.50000000  0.49984300  0.74582000  1
  Fe  Fe22  1  0.25040000  0.41663600  0.00000000  1
  Fe  Fe23  1  0.74960000  0.41663600  0.00000000  1
