data_[Cs8Tm4Bi4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.9322]
_cell_length_b [9.3208]
_cell_length_c [12.9046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Cs2TmBiSe4]
_chemical_formula_sum '[Cs8 Tm4 Bi4 Se16]'
_cell_volume [1074.3717]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.0000  0.5000  1.0
  Cs  Cs1  4  0.2500  0.2500  0.2500  1.0
  Tm  Tm2  4  0.2500  0.2500  0.7500  1.0
  Bi  Bi3  4  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.0000  0.0470  0.7662  1.0
  Se  Se5  8  0.2171  0.2500  0.9752  1.0
]