data_[La2Y2Sc2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  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 [8.9305]
_cell_length_b [4.3613]
_cell_length_c [9.9369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaYScTe3]
_chemical_formula_sum '[La2 Y2 Sc2 Te6]'
_cell_volume [372.7209]
_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
[
  La  La0  2  0.1831  0.2500  0.2330  1.0
  Y  Y1  2  0.3310  0.7500  0.8419  1.0
  Sc  Sc2  2  0.0920  0.2500  0.5951  1.0
  Te  Te3  2  0.0970  0.2500  0.8843  1.0
  Te  Te4  2  0.2557  0.7500  0.5007  1.0
  Te  Te5  2  0.4300  0.7500  0.1690  1.0
]