data_[Tm2As2Se8]
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 [P-1]
_cell_length_a [6.8780]
_cell_length_b [7.0584]
_cell_length_c [7.7683]
_cell_angle_alpha [85.7358]
_cell_angle_beta [87.4102]
_cell_angle_gamma [79.4163]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmAsSe4]
_chemical_formula_sum '[Tm2 As2 Se8]'
_cell_volume [369.4986]
_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  2  0.2011  0.6973  0.0590  1.0
  As  As1  2  0.3179  0.2655  0.8130  1.0
  Se  Se2  2  0.0640  0.5387  0.7566  1.0
  Se  Se3  2  0.1200  0.0263  0.7889  1.0
  Se  Se4  2  0.3933  0.7634  0.3561  1.0
  Se  Se5  2  0.4059  0.2844  0.1021  1.0
]