data_[Na4Sr4Ca16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [12.2268]
_cell_length_b [6.7348]
_cell_length_c [13.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaSrCa4]
_chemical_formula_sum '[Na4 Sr4 Ca16]'
_cell_volume [1047.5384]
_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
[
  Na  Na0  4  0.0000  0.1134  0.7500  1.0
  Sr  Sr1  4  0.2500  0.2500  0.0000  1.0
  Ca  Ca2  8  0.0839  0.7503  0.0068  1.0
  Ca  Ca3  8  0.1608  0.3737  0.2507  1.0
]