data_[Tm4Ni12P8]
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 [C2/m]
_cell_length_a [14.1208]
_cell_length_b [3.7377]
_cell_length_c [6.7863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmNi3P2]
_chemical_formula_sum '[Tm4 Ni12 P8]'
_cell_volume [324.2575]
_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  4  0.1541  0.0000  0.0691  1.0
  Ni  Ni1  4  0.0430  0.0000  0.3663  1.0
  Ni  Ni2  4  0.1001  0.5000  0.6909  1.0
  Ni  Ni3  4  0.1832  0.5000  0.4322  1.0
  P  P4  4  0.0186  0.5000  0.1766  1.0
  P  P5  4  0.1898  0.0000  0.6821  1.0
]