data_[Mg6Se4Cl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2257]
_cell_length_b [6.4037]
_cell_length_c [7.2219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3Se2(ClO3)2]
_chemical_formula_sum '[Mg6 Se4 Cl4 O12]'
_cell_volume [385.2255]
_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  4  0.0383  0.5000  0.2984  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Se  Se2  4  0.1458  0.0000  0.2249  1
  Cl  Cl3  4  0.2070  0.5000  0.1129  1
  O  O4  8  0.0759  0.1910  0.3372  1
  O  O5  4  0.1515  0.5000  0.6262  1
]