data_[Tl4Ga4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.6139]
_cell_length_b [22.6372]
_cell_length_c [3.4459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.6935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlGaH]
_chemical_formula_sum '[Tl4 Ga4 H4]'
_cell_volume [280.9070]
_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
[
  Tl  Tl0  4  0.3106  0.3723  0.2669  1.0
  Ga  Ga1  4  0.3112  0.2207  0.2688  1.0
  H  H2  4  0.3403  0.0177  0.3087  1.0
]