data_[Tm2Cu2Sn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7474]
_cell_length_b [3.9849]
_cell_length_c [9.7961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TmCuSnSe3]
_chemical_formula_sum '[Tm2 Cu2 Sn2 Se6]'
_cell_volume [290.6667]
_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  0.1939  0.2500  0.1618  1
  Cu  Cu1  2  0.4230  0.7500  0.4130  1
  Sn  Sn2  2  0.2513  0.7500  0.6975  1
  Se  Se3  2  0.0727  0.2500  0.8599  1
  Se  Se4  2  0.2413  0.2500  0.4571  1
  Se  Se5  2  0.4520  0.7500  0.1678  1
]