data_[Tm8Ni20P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.2303]
_cell_length_b [9.1236]
_cell_length_c [13.0372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2Ni5P4]
_chemical_formula_sum '[Tm8 Ni20 P16]'
_cell_volume [622.1239]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.1425  1
  Ni  Ni1  8  0.2500  0.2500  0.0000  1
  Ni  Ni2  8  0.2500  0.2500  0.2500  1
  Ni  Ni3  4  0.0000  0.0000  0.5000  1
  P  P4  16  0.0000  0.1506  0.3684  1
]