data_[Na4Sr2Ca12]
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/m]
_cell_length_a [14.3640]
_cell_length_b [4.1781]
_cell_length_c [13.2655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2SrCa6]
_chemical_formula_sum '[Na4 Sr2 Ca12]'
_cell_volume [756.4606]
_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
[
  Na  Na0  4  0.1611  0.5000  0.2292  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Ca  Ca2  4  0.0083  0.0000  0.3394  1
  Ca  Ca3  4  0.1729  0.5000  0.5672  1
  Ca  Ca4  4  0.1807  0.5000  0.8767  1
]