data_[Th12Te8P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8227]
_cell_length_b [13.0081]
_cell_length_c [7.3243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th3Te2P]
_chemical_formula_sum '[Th12 Te8 P4]'
_cell_volume [703.0195]
_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
[
  Th  Th0  8  0.1984  0.4275  0.9834  1
  Th  Th1  4  0.2500  0.2500  0.5000  1
  Te  Te2  4  0.0000  0.0757  0.2500  1
  Te  Te3  4  0.0000  0.2291  0.7500  1
  P  P4  4  0.0000  0.4027  0.2500  1
]