data_[Ba1Sr1Mg14O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5761]
_cell_length_b [8.7764]
_cell_length_c [9.1325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [BaSrMg14O16]
_chemical_formula_sum '[Ba1 Sr1 Mg14 O16]'
_cell_volume [366.7748]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.0000  0.2630  0.2469  1
  Mg  Mg3  2  0.5000  0.0000  0.2445  1
  Mg  Mg4  2  0.5000  0.2614  0.0000  1
  Mg  Mg5  2  0.5000  0.2647  0.5000  1
  Mg  Mg6  2  0.5000  0.5000  0.2494  1
  Mg  Mg7  1  0.0000  0.5000  0.0000  1
  Mg  Mg8  1  0.0000  0.5000  0.5000  1
  O  O9  4  0.5000  0.2517  0.2497  1
  O  O10  2  0.0000  0.0000  0.2415  1
  O  O11  2  0.0000  0.2740  0.0000  1
  O  O12  2  0.0000  0.2822  0.5000  1
  O  O13  2  0.0000  0.5000  0.2467  1
  O  O14  1  0.5000  0.0000  0.0000  1
  O  O15  1  0.5000  0.0000  0.5000  1
  O  O16  1  0.5000  0.5000  0.0000  1
  O  O17  1  0.5000  0.5000  0.5000  1
]