# generated using pymatgen
data_GaFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16428581
_cell_length_b   5.16428581
_cell_length_c   4.18263361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe3
_chemical_formula_sum   'Ga2 Fe6'
_cell_volume   96.60530900
_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
  Ga  Ga0  1  0.33333300  0.66666700  0.25000000  1
  Ga  Ga1  1  0.66666700  0.33333300  0.75000000  1
  Fe  Fe2  1  0.84054100  0.15945900  0.25000000  1
  Fe  Fe3  1  0.84054100  0.68108100  0.25000000  1
  Fe  Fe4  1  0.31891900  0.15945900  0.25000000  1
  Fe  Fe5  1  0.15945900  0.84054100  0.75000000  1
  Fe  Fe6  1  0.15945900  0.31891900  0.75000000  1
  Fe  Fe7  1  0.68108100  0.84054100  0.75000000  1
