data_[Sm8Sc4Cu4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2335]
_cell_length_b [18.7223]
_cell_length_c [12.7866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2ScCuTe5]
_chemical_formula_sum '[Sm8 Sc4 Cu4 Te20]'
_cell_volume [1013.4696]
_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
[
  Sm  Sm0  4  0.0000  0.1104  0.6872  1
  Sm  Sm1  4  0.0000  0.1263  0.3052  1
  Sc  Sc2  4  0.0000  0.1879  0.0103  1
  Cu  Cu3  4  0.0000  0.4254  0.4583  1
  Te  Te4  4  0.0000  0.0435  0.0647  1
  Te  Te5  4  0.0000  0.2855  0.6653  1
  Te  Te6  4  0.0000  0.3076  0.3462  1
  Te  Te7  4  0.0000  0.3497  0.9997  1
  Te  Te8  4  0.0000  0.4998  0.7870  1
]