# generated using pymatgen
data_GaFe3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05570778
_cell_length_b   4.05853900
_cell_length_c   4.86766600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.97689679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaFe3As
_chemical_formula_sum   'Ga1 Fe3 As1'
_cell_volume   69.37238575
_cell_formula_units_Z   1
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  0.33320000  0.33340000  0.75000000  1.0
  Fe  Fe1  1  0.00000500  0.99999800  0.50108100  1.0
  Fe  Fe2  1  0.00000500  0.99999800  0.99891900  1.0
  Fe  Fe3  1  0.66687100  0.66656400  0.75000000  1.0
  As  As4  1  0.66651900  0.66674000  0.25000000  1.0