data_[Ba4Mg12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5942]
_cell_length_b [4.7725]
_cell_length_c [8.7575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMg3Sn2]
_chemical_formula_sum '[Ba4 Mg12 Sn8]'
_cell_volume [701.8660]
_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
[
  Ba  Ba0  4  0.1453  0.0000  0.0633  1.0
  Mg  Mg1  4  0.0452  0.0000  0.3846  1.0
  Mg  Mg2  4  0.0916  0.5000  0.6631  1.0
  Mg  Mg3  4  0.1838  0.5000  0.4492  1.0
  Sn  Sn4  4  0.0168  0.5000  0.1813  1.0
  Sn  Sn5  4  0.1981  0.0000  0.6908  1.0
]