data_[Nb4Tl8Ga4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1413]
_cell_length_b [13.4590]
_cell_length_c [14.1165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NbTl2GaO5]
_chemical_formula_sum '[Nb4 Tl8 Ga4 O20]'
_cell_volume [596.8311]
_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
[
  Nb  Nb0  4  0.0000  0.1330  0.0081  1.0
  Tl  Tl1  4  0.0000  0.0088  0.7475  1.0
  Tl  Tl2  4  0.0000  0.2475  0.2615  1.0
  Ga  Ga3  4  0.0000  0.4010  0.9583  1.0
  O  O4  4  0.0000  0.0339  0.4977  1.0
  O  O5  4  0.0000  0.2719  0.0102  1.0
  O  O6  4  0.0000  0.3774  0.4141  1.0
  O  O7  4  0.0000  0.3833  0.8282  1.0
  O  O8  4  0.0000  0.3852  0.5984  1.0
]