data_[Ca2La2Th2N6]
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
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2398]
_cell_length_b [3.6549]
_cell_length_c [9.2485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaLaThN3]
_chemical_formula_sum '[Ca2 La2 Th2 N6]'
_cell_volume [206.3762]
_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  0.1337  0.7500  0.6346  1
  La  La1  2  0.3637  0.7500  0.3251  1
  Th  Th2  2  0.2340  0.2500  0.9517  1
  N  N3  2  0.0357  0.2500  0.1431  1
  N  N4  2  0.2703  0.2500  0.5061  1
  N  N5  2  0.4534  0.7500  0.8503  1
]