data_[Ba8Er4Ga4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  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 [4.5021]
_cell_length_b [20.6015]
_cell_length_c [14.2366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ErGaTe5]
_chemical_formula_sum '[Ba8 Er4 Ga4 Te20]'
_cell_volume [1320.4543]
_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
[
  Ba  Ba0  4  0.0000  0.1225  0.6816  1.0
  Ba  Ba1  4  0.0000  0.1258  0.3174  1.0
  Er  Er2  4  0.0000  0.2055  0.0195  1.0
  Ga  Ga3  4  0.0000  0.4379  0.4254  1.0
  Te  Te4  4  0.0000  0.0491  0.0351  1.0
  Te  Te5  4  0.0000  0.2955  0.6629  1.0
  Te  Te6  4  0.0000  0.3120  0.3671  1.0
  Te  Te7  4  0.0000  0.3498  0.0008  1.0
  Te  Te8  4  0.0000  0.4994  0.2648  1.0
]