data_[Ba12Sr16Ca8]
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
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.8567]
_cell_length_b [15.1742]
_cell_length_c [7.4773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3(Sr2Ca)2]
_chemical_formula_sum '[Ba12 Sr16 Ca8]'
_cell_volume [1995.8709]
_cell_formula_units_Z [4]
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  8  0.0732  0.2287  0.5164  1
  Ba  Ba1  4  0.0000  0.4966  0.7500  1
  Sr  Sr2  8  0.1017  0.0650  0.9759  1
  Sr  Sr3  8  0.2242  0.4178  0.5878  1
  Ca  Ca4  8  0.1717  0.3216  0.0761  1
]