data_[Y12Pa4Te24]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9921]
_cell_length_b [14.9220]
_cell_length_c [7.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3PaTe6]
_chemical_formula_sum '[Y12 Pa4 Te24]'
_cell_volume [1362.6726]
_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
[
  Y  Y0  8  0.1851  0.1035  0.5191  1
  Y  Y1  4  0.0000  0.4079  0.6289  1
  Pa  Pa2  4  0.0000  0.1638  0.9942  1
  Te  Te3  8  0.1668  0.4636  0.3320  1
  Te  Te4  8  0.1715  0.2701  0.7884  1
  Te  Te5  4  0.0000  0.0052  0.7398  1
  Te  Te6  4  0.0000  0.2330  0.3728  1
]