data_[Th6Be3Co36P9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2523]
_cell_length_b [8.2523]
_cell_length_c [11.9311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Be(Co4P)3]
_chemical_formula_sum '[Th6 Be3 Co36 P9]'
_cell_volume [703.6518]
_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  6  0.0000  0.0000  0.3496  1
  Be  Be1  3  0.0000  0.0000  0.0000  1
  Co  Co2  18  0.0139  0.5070  0.8832  1
  Co  Co3  18  0.0205  0.5103  0.6857  1
  P  P4  9  0.0000  0.5000  0.5000  1
]