data_[Na4Sr24Ca2]
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 [P4/nbm]
_cell_length_a [7.7461]
_cell_length_b [7.7461]
_cell_length_c [30.6805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Na2Sr12Ca]
_chemical_formula_sum '[Na4 Sr24 Ca2]'
_cell_volume [1840.8767]
_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  0.0000  0.5000  0.2078  1
  Sr  Sr1  8  0.1782  0.3218  0.4409  1
  Sr  Sr2  8  0.2497  0.2503  0.0983  1
  Sr  Sr3  4  0.0000  0.0000  0.2011  1
  Sr  Sr4  4  0.0000  0.0000  0.3359  1
  Ca  Ca5  2  0.0000  0.5000  0.0000  1
]