data_[Ga2Co6H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5205]
_cell_length_b [4.9253]
_cell_length_c [5.1002]
_cell_angle_alpha [76.3842]
_cell_angle_beta [89.8116]
_cell_angle_gamma [62.7897]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaCo3H]
_chemical_formula_sum '[Ga2 Co6 H2]'
_cell_volume [97.4327]
_cell_formula_units_Z [2]
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  1  0.0094  0.2399  0.2100  1.0
  Ga  Ga1  1  0.0578  0.7213  0.6083  1.0
  Co  Co2  1  0.0066  0.2110  0.7205  1.0
  Co  Co3  1  0.0806  0.7328  0.1025  1.0
  Co  Co4  1  0.5061  0.2347  0.4501  1.0
  Co  Co5  1  0.5205  0.2163  0.9792  1.0
  Co  Co6  1  0.5772  0.7320  0.3424  1.0
  Co  Co7  1  0.5808  0.7083  0.8560  1.0
  H  H8  1  0.4103  0.0897  0.7415  1.0
  H  H9  1  0.5982  0.4481  0.6527  1.0
]