data_[Ba10Na10Ca2]
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
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4075]
_cell_length_b [19.9212]
_cell_length_c [9.0641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba5Na5Ca]
_chemical_formula_sum '[Ba10 Na10 Ca2]'
_cell_volume [1157.0008]
_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  0.3642  0.2572  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Na  Na2  4  0.0000  0.1912  0.0000  1
  Na  Na3  4  0.0000  0.1986  0.5000  1
  Na  Na4  2  0.0000  0.5000  0.0000  1
  Ca  Ca5  2  0.0000  0.0000  0.0000  1
]