data_[Li2Pr6Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1349]
_cell_length_b [4.3347]
_cell_length_c [8.7728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPr3(ScTe3)2]
_chemical_formula_sum '[Li2 Pr6 Sc4 Te12]'
_cell_volume [705.2219]
_cell_formula_units_Z [2]
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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1628  0.0000  0.8286  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  4  0.1645  0.0000  0.3392  1.0
  Te  Te4  4  0.0078  0.0000  0.2339  1.0
  Te  Te5  4  0.1628  0.5000  0.1004  1.0
  Te  Te6  4  0.1732  0.5000  0.5695  1.0
]