data_[Cs2Sc2Ga2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0249]
_cell_length_b [4.3667]
_cell_length_c [11.0301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScGaTe3]
_chemical_formula_sum '[Cs2 Sc2 Ga2 Te6]'
_cell_volume [455.4678]
_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  0.2040  0.2500  0.2531  1.0
  Sc  Sc1  2  0.3483  0.7500  0.8797  1.0
  Ga  Ga2  2  0.0700  0.2500  0.6248  1.0
  Te  Te3  2  0.1466  0.2500  0.8856  1.0
  Te  Te4  2  0.2179  0.7500  0.5786  1.0
  Te  Te5  2  0.4680  0.7500  0.1560  1.0
]