data_[Ba2Ca14Mg8]
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 [C2/m]
_cell_length_a [15.5081]
_cell_length_b [6.2007]
_cell_length_c [11.3126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCa7Mg4]
_chemical_formula_sum '[Ba2 Ca14 Mg8]'
_cell_volume [897.2185]
_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  0.0000  0.0000  0.0000  1
  Ca  Ca1  4  0.0669  0.0000  0.3972  1
  Ca  Ca2  4  0.1963  0.5000  0.6422  1
  Ca  Ca3  4  0.2208  0.0000  0.8833  1
  Ca  Ca4  2  0.0000  0.5000  0.0000  1
  Mg  Mg5  4  0.0487  0.5000  0.7622  1
  Mg  Mg6  4  0.1821  0.5000  0.3335  1
]