data_[Tm6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P3_1]
_cell_length_a [17.6973]
_cell_length_b [17.6973]
_cell_length_c [7.8064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [144]
_chemical_formula_structural [TmP]
_chemical_formula_sum '[Tm6 P6]'
_cell_volume [2117.3452]
_cell_formula_units_Z [6]
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  3  0.5523  0.1761  0.4056  1
  Tm  Tm1  3  0.5982  0.2568  0.9517  1
  P  P2  3  0.5250  0.3529  0.8353  1
  P  P3  3  0.5778  0.3287  0.3064  1
]