data_[Mg2Sn2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  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 [8.3515]
_cell_length_b [5.2713]
_cell_length_c [7.4420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgSn(SO4)2]
_chemical_formula_sum '[Mg2 Sn2 S4 O16]'
_cell_volume [327.3850]
_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  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  2  0.0000  0.0000  0.5000  1.0
  S  S2  4  0.1414  0.5000  0.7749  1.0
  O  O3  8  0.0378  0.2679  0.7921  1.0
  O  O4  4  0.2052  0.5000  0.5907  1.0
  O  O5  4  0.2337  0.0000  0.0821  1.0
]