data_[Mg4Sn4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.4569]
_cell_length_b [7.8395]
_cell_length_c [5.3317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MgSnO3]
_chemical_formula_sum '[Mg4 Sn4 O12]'
_cell_volume [228.0837]
_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  0.0436  0.2500  0.0006  1.0
  Sn  Sn1  4  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.1764  0.5719  0.1713  1.0
  O  O3  4  0.0870  0.7500  0.6356  1.0
]