# generated using pymatgen
data_ZrMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98368057
_cell_length_b   4.98368057
_cell_length_c   8.05810800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.49580356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnFe
_chemical_formula_sum   'Zr4 Mn4 Fe4'
_cell_volume   172.45373497
_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  0.33341400  0.66658600  0.31529300  1.0
  Zr  Zr1  1  0.66646800  0.33353200  0.18833800  1.0
  Zr  Zr2  1  0.66646800  0.33353200  0.81166200  1.0
  Zr  Zr3  1  0.33341400  0.66658600  0.68470700  1.0
  Mn  Mn4  1  0.66331600  0.82945300  0.00000000  1.0
  Mn  Mn5  1  0.17054700  0.33668400  0.00000000  1.0
  Mn  Mn6  1  0.99920600  0.00079400  0.25436200  1.0
  Mn  Mn7  1  0.99920600  0.00079400  0.74563800  1.0
  Fe  Fe8  1  0.83096200  0.16903800  0.50000000  1.0
  Fe  Fe9  1  0.34022700  0.16984800  0.50000000  1.0
  Fe  Fe10  1  0.83015200  0.65977300  0.50000000  1.0
  Fe  Fe11  1  0.16836800  0.83163200  0.00000000  1.0