data_[Ca8Tl4Ga4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [Cmcm]
_cell_length_a [3.3878]
_cell_length_b [12.4189]
_cell_length_c [11.8869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca2TlGaO4]
_chemical_formula_sum '[Ca8 Tl4 Ga4 O16]'
_cell_volume [500.1104]
_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
[
  Ca  Ca0  8  0.0000  0.3716  0.5331  1.0
  Tl  Tl1  4  0.0000  0.0798  0.7500  1.0
  Ga  Ga2  4  0.0000  0.1861  0.2500  1.0
  O  O3  8  0.0000  0.2480  0.1110  1.0
  O  O4  4  0.0000  0.0000  0.0000  1.0
  O  O5  4  0.0000  0.3961  0.7500  1.0
]