data_[Ba8Ca4Mg4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0040]
_cell_length_b [17.4454]
_cell_length_c [7.0212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2CaMgSb2]
_chemical_formula_sum '[Ba8 Ca4 Mg4 Sb8]'
_cell_volume [857.9032]
_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  8  0.2418  0.3217  0.0000  1
  Ca  Ca1  4  0.0000  0.0000  0.2500  1
  Mg  Mg2  4  0.0000  0.5000  0.2500  1
  Sb  Sb3  8  0.2370  0.6076  0.0000  1
]