data_[Ba1Ca1Mg14O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.5335]
_cell_length_b [8.7377]
_cell_length_c [8.9775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [BaCaMg14O16]
_chemical_formula_sum '[Ba1 Ca1 Mg14 O16]'
_cell_volume [355.6189]
_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
  Ca  Ca1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.0000  0.2605  0.2447  1
  Mg  Mg3  2  0.5000  0.0000  0.2409  1
  Mg  Mg4  2  0.5000  0.2573  0.0000  1
  Mg  Mg5  2  0.5000  0.2636  0.5000  1
  Mg  Mg6  2  0.5000  0.5000  0.2490  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  0.2505  0.2500  1
  O  O10  2  0.0000  0.0000  0.2335  1
  O  O11  2  0.0000  0.2668  0.0000  1
  O  O12  2  0.0000  0.2815  0.5000  1
  O  O13  2  0.0000  0.5000  0.2449  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
]