data_[La8In4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4354]
_cell_length_b [20.0175]
_cell_length_c [13.2233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2InGaTe5]
_chemical_formula_sum '[La8 In4 Ga4 Te20]'
_cell_volume [1174.0391]
_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
[
  La  La0  4  0.0000  0.1114  0.6792  1.0
  La  La1  4  0.0000  0.1284  0.3084  1.0
  In  In2  4  0.0000  0.2085  0.0151  1.0
  Ga  Ga3  4  0.0000  0.4344  0.4517  1.0
  Te  Te4  4  0.0000  0.0444  0.0669  1.0
  Te  Te5  4  0.0000  0.2850  0.6871  1.0
  Te  Te6  4  0.0000  0.3216  0.3393  1.0
  Te  Te7  4  0.0000  0.3664  0.9988  1.0
  Te  Te8  4  0.0000  0.4958  0.7774  1.0
]