data_[Pr2Tm2Sc2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7404]
_cell_length_b [4.3066]
_cell_length_c [9.9269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrTmScTe3]
_chemical_formula_sum '[Pr2 Tm2 Sc2 Te6]'
_cell_volume [361.1134]
_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
[
  Pr  Pr0  2  0.1796  0.2500  0.2386  1.0
  Tm  Tm1  2  0.3275  0.7500  0.8325  1.0
  Sc  Sc2  2  0.0891  0.2500  0.5939  1.0
  Te  Te3  2  0.0980  0.2500  0.8859  1.0
  Te  Te4  2  0.2667  0.7500  0.5023  1.0
  Te  Te5  2  0.4240  0.7500  0.1571  1.0
]