data_[Ti16Ga4Sn4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4247]
_cell_length_b [14.8923]
_cell_length_c [5.4337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti4GaSnH]
_chemical_formula_sum '[Ti16 Ga4 Sn4 H4]'
_cell_volume [438.9601]
_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
[
  Ti  Ti0  8  0.2500  0.2500  0.0000  1.0
  Ti  Ti1  4  0.0000  0.0670  0.7500  1.0
  Ti  Ti2  4  0.0000  0.4222  0.7500  1.0
  Ga  Ga3  4  0.0000  0.1136  0.2500  1.0
  Sn  Sn4  4  0.0000  0.3911  0.2500  1.0
  H  H5  4  0.0000  0.2888  0.7500  1.0
]