# generated using pymatgen
data_MgFe4(AsS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73098874
_cell_length_b   6.09928351
_cell_length_c   6.03859031
_cell_angle_alpha   109.81323886
_cell_angle_beta   88.82154006
_cell_angle_gamma   91.18000190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe4(AsS)4
_chemical_formula_sum   'Mg1 Fe4 As4 S4'
_cell_volume   198.52032323
_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  0.02822500  0.48828000  0.00990800  1.0
  Fe  Fe1  1  0.52142100  0.74898300  0.26698900  1.0
  Fe  Fe2  1  0.01965400  0.26461300  0.28340200  1.0
  Fe  Fe3  1  0.52456800  0.23066600  0.75788600  1.0
  Fe  Fe4  1  0.02615200  0.71448200  0.74016900  1.0
  As  As5  1  0.66944700  0.83930300  0.65057100  1.0
  As  As6  1  0.18694800  0.08258900  0.87855400  1.0
  As  As7  1  0.37786000  0.14118300  0.37320100  1.0
  As  As8  1  0.86170700  0.89382500  0.14775100  1.0
  S  S9  1  0.64335900  0.35973300  0.16413000  1.0
  S  S10  1  0.17541300  0.65619600  0.38829000  1.0
  S  S11  1  0.40517700  0.61987000  0.85964100  1.0
  S  S12  1  0.86959100  0.32486000  0.63575800  1.0