data_[Tm12Ge2Te6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  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 [7.1139]
_cell_length_b [12.3167]
_cell_length_c [7.3510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm6GeTe3P2]
_chemical_formula_sum '[Tm12 Ge2 Te6 P4]'
_cell_volume [609.9553]
_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  0.2389  0.1683  0.2125  1.0
  Tm  Tm1  4  0.2336  0.5000  0.2115  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.1657  0.5000  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.0000  0.3333  0.0000  1.0
]