data_[Tm8Si2As4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.7243]
_cell_length_b [5.7243]
_cell_length_c [11.4919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Tm4SiAs2Se]
_chemical_formula_sum '[Tm8 Si2 As4 Se2]'
_cell_volume [376.5631]
_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  0.0000  0.0000  0.2465  1.0
  Tm  Tm1  4  0.0000  0.5000  0.5017  1.0
  Si  Si2  2  0.0000  0.5000  0.7500  1.0
  As  As3  2  0.0000  0.0000  0.0000  1.0
  As  As4  2  0.0000  0.5000  0.2500  1.0
  Se  Se5  2  0.0000  0.0000  0.5000  1.0
]