data_[Tm12Sn2Te6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  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 [18.4249]
_cell_length_b [4.1440]
_cell_length_c [8.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6SnTe3P2]
_chemical_formula_sum '[Tm12 Sn2 Te6 P4]'
_cell_volume [629.9466]
_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  0.0130  0.0000  0.2505  1
  Tm  Tm1  4  0.1669  0.5000  0.1174  1
  Tm  Tm2  4  0.1771  0.5000  0.5641  1
  Sn  Sn3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1639  0.0000  0.8330  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  P  P6  4  0.1690  0.0000  0.3396  1
]