data_[Li4Th2Mo2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7027]
_cell_length_b [5.2073]
_cell_length_c [5.1231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2ThMoN4]
_chemical_formula_sum '[Li4 Th2 Mo2 N8]'
_cell_volume [205.4885]
_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
[
  Li  Li0  4  0.2491  0.7177  0.9864  1
  Th  Th1  2  0.0000  0.7213  0.4782  1
  Mo  Mo2  2  0.0000  0.1915  0.9990  1
  N  N3  4  0.2080  0.3360  0.8732  1
  N  N4  2  0.0000  0.2045  0.3643  1
  N  N5  2  0.0000  0.8374  0.9393  1
]