data_[Tm12Bi6As2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3090]
_cell_length_b [12.6619]
_cell_length_c [7.3675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Bi3AsSe2]
_chemical_formula_sum '[Tm12 Bi6 As2 Se4]'
_cell_volume [643.8991]
_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
[
  Tm  Tm0  8  0.2385  0.1630  0.2274  1.0
  Tm  Tm1  4  0.2492  0.0000  0.7692  1.0
  Bi  Bi2  4  0.0000  0.1697  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.5000  1.0
  As  As4  2  0.0000  0.0000  0.0000  1.0
  Se  Se5  4  0.0000  0.3342  0.0000  1.0
]