# generated using pymatgen
data_ZrMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96811765
_cell_length_b   4.96906351
_cell_length_c   8.16446400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.70729408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnFe
_chemical_formula_sum   'Zr4 Mn4 Fe4'
_cell_volume   174.03484340
_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  0.33322600  0.33314900  0.56399300  1.0
  Zr  Zr1  1  0.66641600  0.66639200  0.43722700  1.0
  Zr  Zr2  1  0.66641600  0.66639200  0.06277300  1.0
  Zr  Zr3  1  0.33322600  0.33314900  0.93600700  1.0
  Mn  Mn4  1  0.83393600  0.83390200  0.75000000  1.0
  Mn  Mn5  1  0.16938300  0.66138100  0.25000000  1.0
  Mn  Mn6  1  0.66130400  0.16942700  0.25000000  1.0
  Mn  Mn7  1  0.16926800  0.16926200  0.25000000  1.0
  Fe  Fe8  1  0.00007600  0.00016000  0.49582000  1.0
  Fe  Fe9  1  0.00007600  0.00016000  0.00418000  1.0
  Fe  Fe10  1  0.83376500  0.33288700  0.75000000  1.0
  Fe  Fe11  1  0.33290800  0.83374000  0.75000000  1.0