data_[Ba4Na12Sr4]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4901]
_cell_length_b [19.5492]
_cell_length_c [6.5709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaNa3Sr]
_chemical_formula_sum '[Ba4 Na12 Sr4]'
_cell_volume [962.1542]
_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  4  0.0000  0.2064  0.7500  1.0
  Na  Na1  8  0.2492  0.3793  0.7500  1.0
  Na  Na2  4  0.0000  0.0000  0.0000  1.0
  Sr  Sr3  4  0.0000  0.4272  0.2500  1.0
]