data_[Cs4Y4Ga4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.9820]
_cell_length_b [4.5686]
_cell_length_c [12.3922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsYGaTe3]
_chemical_formula_sum '[Cs4 Y4 Ga4 Te12]'
_cell_volume [961.4369]
_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  0.2277  0.7500  0.5407  1
  Y  Y1  4  0.0224  0.7500  0.8607  1
  Ga  Ga2  4  0.0238  0.2500  0.5990  1
  Te  Te3  4  0.0711  0.2500  0.3668  1
  Te  Te4  4  0.0940  0.7500  0.0830  1
  Te  Te5  4  0.1302  0.2500  0.7680  1
]