# generated using pymatgen
data_ZrMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05810822
_cell_length_b   4.94628510
_cell_length_c   8.65346921
_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   344.90738512
_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  0.66658600  0.31529300  1
  Zr  Zr1  1  0.50000000  0.83353200  0.18833800  1
  Zr  Zr2  1  0.50000000  0.83353200  0.81166200  1
  Zr  Zr3  1  0.00000000  0.66658600  0.68470700  1
  Zr  Zr4  1  0.50000000  0.16658600  0.31529300  1
  Zr  Zr5  1  0.00000000  0.33353200  0.18833800  1
  Zr  Zr6  1  0.00000000  0.33353200  0.81166200  1
  Zr  Zr7  1  0.50000000  0.16658600  0.68470700  1
  Mn  Mn8  1  0.24638400  0.58306800  0.00000000  1
  Mn  Mn9  1  0.75361600  0.58306800  0.00000000  1
  Mn  Mn10  1  0.50000000  0.50079400  0.25436200  1
  Mn  Mn11  1  0.50000000  0.50079400  0.74563800  1
  Mn  Mn12  1  0.74638400  0.08306800  0.00000000  1
  Mn  Mn13  1  0.25361600  0.08306800  0.00000000  1
  Mn  Mn14  1  0.00000000  0.00079400  0.25436200  1
  Mn  Mn15  1  0.00000000  0.00079400  0.74563800  1
  Fe  Fe16  1  0.50000000  0.66903800  0.50000000  1
  Fe  Fe17  1  0.25503700  0.91481100  0.50000000  1
  Fe  Fe18  1  0.74496300  0.91481100  0.50000000  1
  Fe  Fe19  1  0.00000000  0.83163200  0.00000000  1
  Fe  Fe20  1  0.00000000  0.16903800  0.50000000  1
  Fe  Fe21  1  0.75503700  0.41481100  0.50000000  1
  Fe  Fe22  1  0.24496300  0.41481100  0.50000000  1
  Fe  Fe23  1  0.50000000  0.33163200  0.00000000  1
