data_[Tm12Te6P4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1688]
_cell_length_b [12.4309]
_cell_length_c [7.2789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Te3P2Au]
_chemical_formula_sum '[Tm12 Te6 P4 Au2]'
_cell_volume [612.1725]
_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  0.2440  0.8274  0.2146  1.0
  Tm  Tm1  4  0.2274  0.5000  0.2142  1.0
  Te  Te2  4  0.0000  0.1652  0.5000  1.0
  Te  Te3  2  0.0000  0.5000  0.5000  1.0
  P  P4  4  0.0000  0.3338  0.0000  1.0
  Au  Au5  2  0.0000  0.0000  0.0000  1.0
]