data_[Ba6Mg4Sn8]
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 [12.8119]
_cell_length_b [5.0557]
_cell_length_c [9.7141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(MgSn2)2]
_chemical_formula_sum '[Ba6 Mg4 Sn8]'
_cell_volume [614.3561]
_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
[
  Ba  Ba0  4  0.1132  0.5000  0.7005  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.1972  0.5000  0.3705  1.0
  Sn  Sn3  4  0.0858  0.0000  0.4096  1.0
  Sn  Sn4  4  0.2137  0.5000  0.0677  1.0
]