data_[Ca2La24In8N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [10.3959]
_cell_length_b [10.3959]
_cell_length_c [10.3959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [CaLa12In4N3]
_chemical_formula_sum '[Ca2 La24 In8 N6]'
_cell_volume [1123.5420]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  La  La1  12  0.0000  0.0000  0.2714  1
  La  La2  12  0.0000  0.2500  0.5000  1
  In  In3  8  0.2500  0.2500  0.2500  1
  N  N4  6  0.0000  0.0000  0.5000  1
]