data_[Ga4Mo4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0587]
_cell_length_b [3.1768]
_cell_length_c [6.6365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.6663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaMoH]
_chemical_formula_sum '[Ga4 Mo4 H4]'
_cell_volume [142.6702]
_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
[
  Ga  Ga0  2  0.4686  0.0000  0.1389  1.0
  Ga  Ga1  2  0.4927  0.5000  0.8267  1.0
  Mo  Mo2  2  0.1531  0.0000  0.5991  1.0
  Mo  Mo3  2  0.2942  0.0000  0.3659  1.0
  H  H4  2  0.2059  0.5000  0.7810  1.0
  H  H5  2  0.3555  0.5000  0.2824  1.0
]