data_[Na6Sr4Ca2]
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 [P-3m1]
_cell_length_a [7.1705]
_cell_length_b [7.1705]
_cell_length_c [11.7320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3Sr2Ca]
_chemical_formula_sum '[Na6 Sr4 Ca2]'
_cell_volume [522.4002]
_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  6  0.1789  0.3579  0.2457  1
  Sr  Sr1  2  0.3333  0.6667  0.5720  1
  Sr  Sr2  1  0.0000  0.0000  0.0000  1
  Sr  Sr3  1  0.0000  0.0000  0.5000  1
  Ca  Ca4  2  0.3333  0.6667  0.9412  1
]