data_[Cs2Mg2Sc2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [9.8111]
_cell_length_b [4.4144]
_cell_length_c [11.1268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMgScTe3]
_chemical_formula_sum '[Cs2 Mg2 Sc2 Te6]'
_cell_volume [444.3149]
_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
[
  Cs  Cs0  2  0.2681  0.7500  0.7460  1
  Mg  Mg1  2  0.4148  0.7500  0.3848  1
  Sc  Sc2  2  0.1701  0.2500  0.1283  1
  Te  Te3  2  0.0203  0.2500  0.8507  1
  Te  Te4  2  0.2777  0.2500  0.4439  1
  Te  Te5  2  0.3767  0.7500  0.1275  1
]