data_[K2Sc2Be2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7237]
_cell_length_b [4.1411]
_cell_length_c [10.1175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KScBeTe3]
_chemical_formula_sum '[K2 Sc2 Be2 Te6]'
_cell_volume [380.3518]
_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
[
  K  K0  2  0.2064  0.2500  0.2349  1.0
  Sc  Sc1  2  0.3328  0.7500  0.8603  1.0
  Be  Be2  2  0.0795  0.2500  0.5995  1.0
  Te  Te3  2  0.1159  0.2500  0.8513  1.0
  Te  Te4  2  0.1941  0.7500  0.5356  1.0
  Te  Te5  2  0.4670  0.7500  0.1668  1.0
]