# generated using pymatgen
data_MgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66443496
_cell_length_b   4.23063406
_cell_length_c   4.83044563
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgS3
_chemical_formula_sum   'Mg1 S3'
_cell_volume   74.88583514
_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  0.10983519  -0.00000000  0.50000000  1.0
  S  S1  1  0.55686382  0.50000000  -0.00000000  1.0
  S  S2  1  0.34525177  -0.00000000  -0.00000000  1.0
  S  S3  1  0.65472022  0.50000000  0.50000000  1.0