data_[Ba1Na2Sr3Ca8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.2908]
_cell_length_b [7.2908]
_cell_length_c [14.4361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaNa2Sr3Ca8]
_chemical_formula_sum '[Ba1 Na2 Sr3 Ca8]'
_cell_volume [664.5453]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.3333  0.6667  0.9289  1.0
  Sr  Sr2  2  0.3333  0.6667  0.4458  1.0
  Sr  Sr3  1  0.0000  0.0000  0.0000  1.0
  Ca  Ca4  6  0.1668  0.3337  0.7249  1.0
  Ca  Ca5  2  0.3333  0.6667  0.1688  1.0
]