data_[Ba9Ca3Mg24]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4777]
_cell_length_b [6.4777]
_cell_length_c [32.2868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3CaMg8]
_chemical_formula_sum '[Ba9 Ca3 Mg24]'
_cell_volume [1173.2808]
_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  0.3752  1.0
  Ba  Ba1  3  0.0000  0.0000  0.5014  1.0
  Ba  Ba2  3  0.0000  0.0000  0.9984  1.0
  Ca  Ca3  3  0.0000  0.0000  0.8746  1.0
  Mg  Mg4  9  0.0038  0.5019  0.4394  1.0
  Mg  Mg5  9  0.1678  0.3356  0.2691  1.0
  Mg  Mg6  3  0.0000  0.0000  0.1882  1.0
  Mg  Mg7  3  0.0000  0.0000  0.6869  1.0
]