data_[Tm1P2Pb1O8]
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
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3928]
_cell_length_b [5.3928]
_cell_length_c [7.3323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TmP2PbO8]
_chemical_formula_sum '[Tm1 P2 Pb1 O8]'
_cell_volume [184.6720]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  P  P1  2  0.3333  0.6667  0.7678  1
  Pb  Pb2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1771  0.3542  0.6975  1
  O  O4  2  0.3333  0.6667  0.9789  1
]