data_[Ba8Sr2Ca10]
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 [I4mm]
_cell_length_a [12.5355]
_cell_length_b [12.5355]
_cell_length_c [6.9600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ba4SrCa5]
_chemical_formula_sum '[Ba8 Sr2 Ca10]'
_cell_volume [1093.6853]
_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  8  0.0000  0.3077  0.4534  1
  Sr  Sr1  2  0.0000  0.0000  0.2169  1
  Ca  Ca2  8  0.1836  0.1836  0.9444  1
  Ca  Ca3  2  0.0000  0.0000  0.7020  1
]