data_[Ba3Pr3Y12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.6204]
_cell_length_b [8.6204]
_cell_length_c [21.5138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaPr(YSe2)4]
_chemical_formula_sum '[Ba3 Pr3 Y12 Se24]'
_cell_volume [1384.5433]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.3723  1
  Pr  Pr1  3  0.0000  0.0000  0.0018  1
  Y  Y2  9  0.1684  0.3369  0.8328  1
  Y  Y3  3  0.0000  0.0000  0.6256  1
  Se  Se4  9  0.0394  0.5197  0.7593  1
  Se  Se5  9  0.1733  0.3466  0.5782  1
  Se  Se6  3  0.0000  0.0000  0.2319  1
  Se  Se7  3  0.0000  0.0000  0.7575  1
]