data_[Mg8S4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3647]
_cell_length_b [6.2348]
_cell_length_c [7.5150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2SO5]
_chemical_formula_sum '[Mg8 S4 O20]'
_cell_volume [379.1056]
_cell_formula_units_Z [4]
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  4  0.0659  0.0000  0.2148  1
  Mg  Mg1  4  0.2500  0.2500  0.0000  1
  S  S2  4  0.1056  0.5000  0.3079  1
  O  O3  8  0.0020  0.3058  0.7475  1
  O  O4  4  0.1557  0.0000  0.0365  1
  O  O5  4  0.1944  0.5000  0.1898  1
  O  O6  4  0.2210  0.5000  0.5288  1
]