# generated using pymatgen
data_YMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09604475
_cell_length_b   5.21102538
_cell_length_c   7.28275534
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnFe
_chemical_formula_sum   'Y4 Mn4 Fe4'
_cell_volume   193.39807266
_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
  Y  Y0  1  0.00000000  0.25000000  0.12272700  1
  Y  Y1  1  0.50000000  0.25000000  0.37727300  1
  Y  Y2  1  0.50000000  0.75000000  0.62272700  1
  Y  Y3  1  0.00000000  0.75000000  0.87727300  1
  Mn  Mn4  1  0.00000000  0.00000000  0.50000000  1
  Mn  Mn5  1  0.50000000  0.00000000  0.00000000  1
  Mn  Mn6  1  0.50000000  0.50000000  0.00000000  1
  Mn  Mn7  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe8  1  0.25000000  0.75000000  0.25000000  1
  Fe  Fe9  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe10  1  0.75000000  0.25000000  0.75000000  1
  Fe  Fe11  1  0.25000000  0.25000000  0.75000000  1
