data_[Na3Tm12Bi3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0100]
_cell_length_b [8.0100]
_cell_length_c [20.0187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaTm4BiS8]
_chemical_formula_sum '[Na3 Tm12 Bi3 S24]'
_cell_volume [1112.3318]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.6302  1.0
  Tm  Tm1  9  0.0088  0.5044  0.5003  1.0
  Tm  Tm2  3  0.0000  0.0000  0.3744  1.0
  Bi  Bi3  3  0.0000  0.0000  0.9903  1.0
  S  S4  9  0.0120  0.5060  0.7568  1.0
  S  S5  9  0.1785  0.3569  0.5762  1.0
  S  S6  3  0.0000  0.0000  0.2420  1.0
  S  S7  3  0.0000  0.0000  0.7635  1.0
]