data_[Ba8Sr6Ca10]
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/m]
_cell_length_a [18.5338]
_cell_length_b [7.0153]
_cell_length_c [11.4183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Sr3Ca5]
_chemical_formula_sum '[Ba8 Sr6 Ca10]'
_cell_volume [1286.9153]
_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  4  0.0804  0.0000  0.9238  1
  Ba  Ba1  4  0.1995  0.0000  0.3753  1
  Sr  Sr2  4  0.2329  0.0000  0.7658  1
  Sr  Sr3  2  0.0000  0.5000  0.5000  1
  Ca  Ca4  4  0.0524  0.5000  0.2008  1
  Ca  Ca5  4  0.1719  0.5000  0.8570  1
  Ca  Ca6  2  0.0000  0.0000  0.5000  1
]