data_[Tm12Si4Te6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3415]
_cell_length_b [4.1386]
_cell_length_c [8.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Si2Te3P]
_chemical_formula_sum '[Tm12 Si4 Te6 P2]'
_cell_volume [621.2488]
_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  0.0084  0.0000  0.2287  1.0
  Tm  Tm1  4  0.1585  0.5000  0.1020  1.0
  Tm  Tm2  4  0.1737  0.5000  0.5638  1.0
  Si  Si3  4  0.1662  0.0000  0.3315  1.0
  Te  Te4  4  0.1657  0.0000  0.8339  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  2  0.0000  0.5000  0.0000  1.0
]