data_[Sr2La10N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4992]
_cell_length_b [11.2274]
_cell_length_c [6.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrLa5N6]
_chemical_formula_sum '[Sr2 La10 N12]'
_cell_volume [445.9120]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  La  La1  4  0.0000  0.1674  0.5000  1
  La  La2  4  0.0000  0.3332  0.0000  1
  La  La3  2  0.0000  0.5000  0.5000  1
  N  N4  8  0.2386  0.3241  0.7434  1
  N  N5  4  0.2336  0.5000  0.2574  1
]