data_[Tm16Bi4As2]
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 [C2/m]
_cell_length_a [18.0155]
_cell_length_b [4.0655]
_cell_length_c [8.7833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Bi2As]
_chemical_formula_sum '[Tm16 Bi4 As2]'
_cell_volume [640.9434]
_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  4  0.0152  0.0000  0.2263  1.0
  Tm  Tm1  4  0.0912  0.5000  0.5387  1.0
  Tm  Tm2  4  0.1556  0.5000  0.0363  1.0
  Tm  Tm3  4  0.2068  0.0000  0.3630  1.0
  Bi  Bi4  4  0.1772  0.0000  0.7732  1.0
  As  As5  2  0.0000  0.5000  0.0000  1.0
]