# generated using pymatgen
data_MgFe4(AsS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74801510
_cell_length_b   5.99272610
_cell_length_c   6.05020851
_cell_angle_alpha   108.99570320
_cell_angle_beta   89.86456519
_cell_angle_gamma   89.91192770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe4(AsS)4
_chemical_formula_sum   'Mg1 Fe4 As4 S4'
_cell_volume   197.05680824
_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  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.49639900  0.72820500  0.23137800  1.0
  Fe  Fe2  1  0.99641300  0.27898300  0.28369800  1.0
  Fe  Fe3  1  0.50360100  0.27179500  0.76862200  1.0
  Fe  Fe4  1  0.00358700  0.72101700  0.71630200  1.0
  As  As5  1  0.65731400  0.85707300  0.59498700  1.0
  As  As6  1  0.10694600  0.15000900  0.86238300  1.0
  As  As7  1  0.34268600  0.14292700  0.40501300  1.0
  As  As8  1  0.89305400  0.84999100  0.13761700  1.0
  S  S9  1  0.64720200  0.37877300  0.17445300  1.0
  S  S10  1  0.14155900  0.64217000  0.33898200  1.0
  S  S11  1  0.35279800  0.62122700  0.82554700  1.0
  S  S12  1  0.85844100  0.35783000  0.66101800  1.0