data_[Tm20Bi8As8]
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
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.0269]
_cell_length_b [7.8587]
_cell_length_c [7.9376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm5(BiAs)2]
_chemical_formula_sum '[Tm20 Bi8 As8]'
_cell_volume [937.3680]
_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
[
  Tm  Tm0  16  0.1220  0.1555  0.3425  1
  Tm  Tm1  4  0.0000  0.0000  0.0000  1
  Bi  Bi2  8  0.2044  0.0000  0.0000  1
  As  As3  8  0.0000  0.1472  0.6445  1
]