data_[Ca4Tl4Ga4O16]
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 [6.1692]
_cell_length_b [9.8257]
_cell_length_c [6.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaTlGaO4]
_chemical_formula_sum '[Ca4 Tl4 Ga4 O16]'
_cell_volume [411.3514]
_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  4  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1642  0.7500  1.0
  Ga  Ga2  4  0.0000  0.1433  0.2500  1.0
  O  O3  8  0.0000  0.2606  0.0337  1.0
  O  O4  8  0.2316  0.0175  0.2500  1.0
]