# generated using pymatgen
data_Mg3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92968402
_cell_length_b   5.92968402
_cell_length_c   4.84427700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Fe
_chemical_formula_sum   'Mg6 Fe2'
_cell_volume   147.51042072
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.17301500  0.34602900  0.25000000  1.0
  Mg  Mg1  1  0.65397100  0.82698500  0.25000000  1.0
  Mg  Mg2  1  0.17301500  0.82698500  0.25000000  1.0
  Mg  Mg3  1  0.82698500  0.17301500  0.75000000  1.0
  Mg  Mg4  1  0.34602900  0.17301500  0.75000000  1.0
  Mg  Mg5  1  0.82698500  0.65397100  0.75000000  1.0
  Fe  Fe6  1  0.66666700  0.33333300  0.25000000  1.0
  Fe  Fe7  1  0.33333300  0.66666700  0.75000000  1.0