data_[Ba3Sr9Mg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4779]
_cell_length_b [6.4779]
_cell_length_c [31.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaSr3Mg8]
_chemical_formula_sum '[Ba3 Sr9 Mg24]'
_cell_volume [1154.7745]
_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  0.1249  1
  Sr  Sr1  3  0.0000  0.0000  0.5005  1
  Sr  Sr2  3  0.0000  0.0000  0.6251  1
  Sr  Sr3  3  0.0000  0.0000  0.9994  1
  Mg  Mg4  9  0.0015  0.5008  0.5636  1
  Mg  Mg5  9  0.1675  0.3350  0.3947  1
  Mg  Mg6  3  0.0000  0.0000  0.3122  1
  Mg  Mg7  3  0.0000  0.0000  0.8129  1
]