data_[Li2Sm6Th4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4344]
_cell_length_b [4.2325]
_cell_length_c [8.4711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSm3(ThAs3)2]
_chemical_formula_sum '[Li2 Sm6 Th4 As12]'
_cell_volume [641.1319]
_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  2  0.0000  0.5000  0.0000  1
  Sm  Sm1  4  0.1636  0.0000  0.8341  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.1607  0.0000  0.3222  1
  As  As4  4  0.0003  0.0000  0.7474  1
  As  As5  4  0.1678  0.5000  0.0831  1
  As  As6  4  0.1688  0.5000  0.5810  1
]