# generated using pymatgen
data_MgFe4(AsS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71199886
_cell_length_b   6.09190503
_cell_length_c   6.02313405
_cell_angle_alpha   109.38517409
_cell_angle_beta   91.18716590
_cell_angle_gamma   88.94346373
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe4(AsS)4
_chemical_formula_sum   'Mg1 Fe4 As4 S4'
_cell_volume   197.64766017
_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
  Mg  Mg0  1  0.48448900  0.50015400  0.49454600  1.0
  Fe  Fe1  1  0.48992100  0.73547400  0.22497000  1.0
  Fe  Fe2  1  0.99212400  0.26952200  0.26955900  1.0
  Fe  Fe3  1  0.49647300  0.26775500  0.76970400  1.0
  Fe  Fe4  1  0.99379300  0.73406500  0.72665100  1.0
  As  As5  1  0.65457000  0.90005600  0.62793600  1.0
  As  As6  1  0.13358000  0.14116600  0.86831800  1.0
  As  As7  1  0.32795400  0.09941400  0.37049100  1.0
  As  As8  1  0.85068200  0.86361000  0.12626800  1.0
  S  S9  1  0.64783900  0.34732800  0.12613400  1.0
  S  S10  1  0.11607000  0.64392000  0.33545100  1.0
  S  S11  1  0.33920900  0.65839000  0.86959500  1.0
  S  S12  1  0.86615400  0.35998000  0.65912500  1.0