data_[Pr3Sm6Ho3Te18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8554]
_cell_length_b [7.8554]
_cell_length_c [21.3784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrSm2HoTe6]
_chemical_formula_sum '[Pr3 Sm6 Ho3 Te18]'
_cell_volume [1142.4496]
_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
[
  Pr  Pr0  3  0.0000  0.0000  0.1801  1.0
  Sm  Sm1  3  0.0000  0.0000  0.4878  1.0
  Sm  Sm2  3  0.0000  0.0000  0.9904  1.0
  Ho  Ho3  3  0.0000  0.0000  0.6768  1.0
  Te  Te4  9  0.0059  0.6982  0.5848  1.0
  Te  Te5  9  0.0216  0.3471  0.7497  1.0
]