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 [C2/m]
_cell_length_a [7.4782]
_cell_length_b [4.3164]
_cell_length_c [10.3439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlGaH]
_chemical_formula_sum '[Tl4 Ga4 H4]'
_cell_volume [322.4379]
_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  0.0774  0.0000  0.2200  1.0
  Ga  Ga1  4  0.1716  0.5000  0.0172  1.0
  H  H2  4  0.0232  0.5000  0.5361  1.0
]