data_[Y36Pa3Co21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pa  1.5000  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.2176]
_cell_length_b [14.2176]
_cell_length_c [8.5543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Y12PaCo7]
_chemical_formula_sum '[Y36 Pa3 Co21]'
_cell_volume [1497.5111]
_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
[
  Y  Y0  18  0.0086  0.4298  0.3341  1
  Y  Y1  18  0.0452  0.1710  0.3005  1
  Pa  Pa2  3  0.0000  0.0000  0.0000  1
  Co  Co3  18  0.0463  0.1801  0.9104  1
  Co  Co4  3  0.0000  0.0000  0.5000  1
]