data_[Th3Be51Co3]
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
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6540]
_cell_length_b [7.6540]
_cell_length_c [11.0234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ThBe17Co]
_chemical_formula_sum '[Th3 Be51 Co3]'
_cell_volume [559.2752]
_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  0.6519  1
  Be  Be1  18  0.0116  0.2952  0.0026  1
  Be  Be2  9  0.0078  0.5039  0.4992  1
  Be  Be3  9  0.0329  0.5165  0.8517  1
  Be  Be4  9  0.1670  0.3340  0.4887  1
  Be  Be5  3  0.0000  0.0000  0.0994  1
  Be  Be6  3  0.0000  0.0000  0.9073  1
  Co  Co7  3  0.0000  0.0000  0.3069  1
]