data_[Ba2Mg28Ti2]
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
  Ti  1.5400  1.4000  0.8517
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.4974]
_cell_length_b [6.5382]
_cell_length_c [11.4405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaMg14Ti]
_chemical_formula_sum '[Ba2 Mg28 Ti2]'
_cell_volume [785.2155]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.6723  1
  Mg  Mg1  8  0.2396  0.2373  0.0812  1
  Mg  Mg2  4  0.0000  0.2440  0.4171  1
  Mg  Mg3  4  0.2323  0.0000  0.8394  1
  Mg  Mg4  4  0.2604  0.0000  0.3282  1
  Mg  Mg5  4  0.5000  0.2453  0.9218  1
  Mg  Mg6  2  0.0000  0.0000  0.1693  1
  Mg  Mg7  2  0.0000  0.0000  0.6655  1
  Ti  Ti8  2  0.5000  0.0000  0.1550  1
]