data_[Ba8Mg4In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2508]
_cell_length_b [5.3975]
_cell_length_c [12.5517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2MgIn2]
_chemical_formula_sum '[Ba8 Mg4 In8]'
_cell_volume [738.4269]
_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  0.0872  0.5000  0.8872  1
  Ba  Ba1  4  0.1848  0.0000  0.6719  1
  Mg  Mg2  4  0.1385  0.0000  0.3618  1
  In  In3  4  0.0800  0.5000  0.4402  1
  In  In4  4  0.1155  0.0000  0.1106  1
]