data_[Na4Tm2Cu4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6776]
_cell_length_b [3.9306]
_cell_length_c [7.6274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tm(CuSe2)2]
_chemical_formula_sum '[Na4 Tm2 Cu4 Se8]'
_cell_volume [408.2102]
_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
[
  Na  Na0  4  0.1271  0.0000  0.5612  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1843  0.5000  0.9922  1.0
  Se  Se3  4  0.0157  0.5000  0.7475  1.0
  Se  Se4  4  0.2101  0.0000  0.2042  1.0
]