data_[Tm12Te6As2P4]
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
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2720]
_cell_length_b [4.0879]
_cell_length_c [8.4085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6Te3AsP2]
_chemical_formula_sum '[Tm12 Te6 As2 P4]'
_cell_volume [604.9924]
_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  0.0119  0.0000  0.2365  1
  Tm  Tm1  4  0.1621  0.5000  0.1125  1
  Tm  Tm2  4  0.1770  0.5000  0.5613  1
  Te  Te3  4  0.1647  0.0000  0.8333  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  As  As5  2  0.0000  0.5000  0.0000  1
  P  P6  4  0.1672  0.0000  0.3349  1
]