data_[Ba12Na4Sr4Ca4]
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 [Imma]
_cell_length_a [6.6521]
_cell_length_b [6.6829]
_cell_length_c [28.9641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ba3NaSrCa]
_chemical_formula_sum '[Ba12 Na4 Sr4 Ca4]'
_cell_volume [1287.6079]
_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  0.2500  0.2078  1
  Ba  Ba1  4  0.0000  0.2500  0.5479  1
  Ba  Ba2  4  0.0000  0.2500  0.8690  1
  Na  Na3  4  0.0000  0.2500  0.3677  1
  Sr  Sr4  4  0.0000  0.2500  0.0457  1
  Ca  Ca5  4  0.0000  0.2500  0.7106  1
]