data_[Ba8Mg4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9396]
_cell_length_b [18.5094]
_cell_length_c [8.6168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2MgSb2]
_chemical_formula_sum '[Ba8 Mg4 Sb8]'
_cell_volume [787.8219]
_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  0.0000  0.0348  0.7263  1.0
  Ba  Ba1  4  0.0000  0.2054  0.3949  1.0
  Mg  Mg2  4  0.0000  0.4087  0.5803  1.0
  Sb  Sb3  4  0.0000  0.1671  0.0032  1.0
  Sb  Sb4  4  0.0000  0.4388  0.9296  1.0
]