data_[Ba3Mg3Se6O24]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1232]
_cell_length_b [5.1232]
_cell_length_c [23.1734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaMg(SeO4)2]
_chemical_formula_sum '[Ba3 Mg3 Se6 O24]'
_cell_volume [526.7411]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1.0
  Mg  Mg1  3  0.0000  0.0000  0.0000  1.0
  Se  Se2  6  0.0000  0.0000  0.2590  1.0
  O  O3  18  0.0107  0.6494  0.3880  1.0
  O  O4  6  0.0000  0.0000  0.1863  1.0
]