data_[Ba6Na2Sr6]
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 [P2_1/m]
_cell_length_a [10.7547]
_cell_length_b [6.8309]
_cell_length_c [11.7741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba3NaSr3]
_chemical_formula_sum '[Ba6 Na2 Sr6]'
_cell_volume [799.5951]
_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  2  0.1353  0.7500  0.4678  1.0
  Ba  Ba1  2  0.4141  0.2500  0.3978  1.0
  Ba  Ba2  2  0.4171  0.7500  0.8798  1.0
  Na  Na3  2  0.2919  0.2500  0.6819  1.0
  Sr  Sr4  2  0.0036  0.2500  0.2297  1.0
  Sr  Sr5  2  0.1534  0.2500  0.9567  1.0
  Sr  Sr6  2  0.2831  0.7500  0.1756  1.0
]