data_[Tm15As3Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0384]
_cell_length_b [4.0384]
_cell_length_c [49.0831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm5AsSe4]
_chemical_formula_sum '[Tm15 As3 Se12]'
_cell_volume [693.2229]
_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
[
  Tm  Tm0  6  0.0000  0.0000  0.1986  1.0
  Tm  Tm1  6  0.0000  0.0000  0.3992  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0000  1.0
  As  As3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  6  0.0000  0.0000  0.0994  1.0
  Se  Se5  6  0.0000  0.0000  0.3003  1.0
]