data_[Na2Ca6La4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3876]
_cell_length_b [12.7869]
_cell_length_c [7.3867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCa3(LaSe3)2]
_chemical_formula_sum '[Na2 Ca6 La4 Se12]'
_cell_volume [657.8562]
_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
  Ca  Ca1  4  0.0000  0.1653  0.5000  1
  Ca  Ca2  2  0.0000  0.5000  0.5000  1
  La  La3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2464  0.3320  0.7438  1
  Se  Se5  4  0.2495  0.5000  0.2564  1
]