data_[Tm12Ga2Te4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2516]
_cell_length_b [12.5013]
_cell_length_c [7.1200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6GaTe2Se3]
_chemical_formula_sum '[Tm12 Ga2 Te4 Se6]'
_cell_volume [607.0010]
_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  8  0.2376  0.1527  0.2571  1.0
  Tm  Tm1  4  0.2156  0.0000  0.7377  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.3357  0.0000  1.0
  Se  Se4  4  0.0000  0.1775  0.5000  1.0
  Se  Se5  2  0.0000  0.5000  0.5000  1.0
]