data_[Na8Sr12Ca16]
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 [11.6372]
_cell_length_b [13.1282]
_cell_length_c [10.8756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Sr3Ca4]
_chemical_formula_sum '[Na8 Sr12 Ca16]'
_cell_volume [1631.1801]
_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  8  0.1057  0.3746  0.4163  1
  Sr  Sr1  8  0.1667  0.1355  0.2562  1
  Sr  Sr2  4  0.0000  0.3828  0.7500  1
  Ca  Ca3  8  0.0615  0.1231  0.5905  1
  Ca  Ca4  8  0.2259  0.3795  0.0771  1
]