data_[Na4Sr10Ca10]
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 [14.4745]
_cell_length_b [6.2227]
_cell_length_c [12.4422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2(SrCa)5]
_chemical_formula_sum '[Na4 Sr10 Ca10]'
_cell_volume [1120.6656]
_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  0.1644  0.0000  0.7546  1.0
  Sr  Sr1  4  0.0162  0.5000  0.7411  1.0
  Sr  Sr2  4  0.1665  0.5000  0.0174  1.0
  Sr  Sr3  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca4  4  0.1766  0.0000  0.2520  1.0
  Ca  Ca5  4  0.1793  0.5000  0.4777  1.0
  Ca  Ca6  2  0.0000  0.0000  0.0000  1.0
]