data_[Na2Sr12Ca10]
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 [Immm]
_cell_length_a [5.8371]
_cell_length_b [11.1500]
_cell_length_c [17.6373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [NaSr6Ca5]
_chemical_formula_sum '[Na2 Sr12 Ca10]'
_cell_volume [1147.8899]
_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  2  0.0000  0.0000  0.0000  1
  Sr  Sr1  8  0.0000  0.2453  0.1663  1
  Sr  Sr2  4  0.0000  0.2604  0.5000  1
  Ca  Ca3  4  0.0000  0.0000  0.3387  1
  Ca  Ca4  4  0.0000  0.5000  0.3246  1
  Ca  Ca5  2  0.0000  0.5000  0.0000  1
]