data_[Tm12Ga2Te6As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4523]
_cell_length_b [4.1339]
_cell_length_c [8.5835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6GaTe3As2]
_chemical_formula_sum '[Tm12 Ga2 Te6 As4]'
_cell_volume [633.2728]
_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  0.0053  0.0000  0.2319  1.0
  Tm  Tm1  4  0.1579  0.5000  0.0986  1.0
  Tm  Tm2  4  0.1739  0.5000  0.5660  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1691  0.0000  0.8318  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  As  As6  4  0.1670  0.0000  0.3352  1.0
]