data_[Cs4Sc4Ga4Te12]
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 [Cmcm]
_cell_length_a [4.3722]
_cell_length_b [16.8319]
_cell_length_c [11.7802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsScGaTe3]
_chemical_formula_sum '[Cs4 Sc4 Ga4 Te12]'
_cell_volume [866.9387]
_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
[
  Cs  Cs0  4  0.0000  0.2497  0.7500  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.4456  0.2500  1
  Te  Te3  8  0.0000  0.3816  0.0327  1
  Te  Te4  4  0.0000  0.0461  0.2500  1
]