data_[K4Mg4Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3659]
_cell_length_b [15.9447]
_cell_length_c [11.4292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KMgScTe3]
_chemical_formula_sum '[K4 Mg4 Sc4 Te12]'
_cell_volume [795.6162]
_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
[
  K  K0  4  0.0000  0.2478  0.2500  1
  Mg  Mg1  4  0.0000  0.4663  0.7500  1
  Sc  Sc2  4  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.0000  0.3755  0.5459  1
  Te  Te4  4  0.0000  0.0728  0.7500  1
]