data_[Th6Ag3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0190]
_cell_length_b [4.0190]
_cell_length_c [23.2125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Th2AgP]
_chemical_formula_sum '[Th6 Ag3 P3]'
_cell_volume [324.6985]
_cell_formula_units_Z [3]
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
[
  Th  Th0  3  0.0000  0.0000  0.0717  1
  Th  Th1  3  0.0000  0.0000  0.2607  1
  Ag  Ag2  3  0.0000  0.0000  0.5002  1
  P  P3  3  0.0000  0.0000  0.6673  1
]