data_[Tm2Sn6P6]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [20.7043]
_cell_length_b [5.7729]
_cell_length_c [7.9507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Tm(SnP)3]
_chemical_formula_sum '[Tm2 Sn6 P6]'
_cell_volume [950.2957]
_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  2  0.5000  0.0000  0.1582  1
  Sn  Sn1  4  0.3622  0.0920  0.8753  1
  Sn  Sn2  2  0.5000  0.0000  0.7898  1
  P  P3  4  0.3635  0.0229  0.1936  1
  P  P4  2  0.5000  0.0000  0.4878  1
]