# generated using pymatgen
data_MgSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71387117
_cell_length_b   4.71387176
_cell_length_c   6.44744954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.38189459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSO4
_chemical_formula_sum   'Mg2 S2 O8'
_cell_volume   131.50109472
_cell_formula_units_Z   2
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  0.00000000  0.00000000  -0.00000000  1.0
  Mg  Mg1  1  0.00000000  0.00000000  0.50000000  1.0
  S  S2  1  0.35096641  0.64903359  0.75000000  1.0
  S  S3  1  0.64903359  0.35096641  0.25000000  1.0
  O  O4  1  0.22781191  0.30388798  0.75000000  1.0
  O  O5  1  0.77218809  0.69611202  0.25000000  1.0
  O  O6  1  0.30388798  0.22781191  0.25000000  1.0
  O  O7  1  0.69611202  0.77218809  0.75000000  1.0
  O  O8  1  0.24925673  0.75074327  0.93750989  1.0
  O  O9  1  0.75074327  0.24925673  0.43751089  1.0
  O  O10  1  0.75074327  0.24925673  0.06248911  1.0
  O  O11  1  0.24925673  0.75074327  0.56249011  1.0