data_[Na2Sr8Ca4]
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 [19.3923]
_cell_length_b [3.9767]
_cell_length_c [10.0590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(Sr2Ca)2]
_chemical_formula_sum '[Na2 Sr8 Ca4]'
_cell_volume [693.4649]
_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  1.0
  Sr  Sr1  4  0.0784  0.0000  0.7121  1.0
  Sr  Sr2  4  0.1404  0.5000  0.4060  1.0
  Ca  Ca3  4  0.2204  0.0000  0.1404  1.0
]