data_[Cu3H3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2438]
_cell_length_b [2.6861]
_cell_length_c [18.9315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CuH]
_chemical_formula_sum '[Cu3 H3]'
_cell_volume [215.8077]
_cell_formula_units_Z [3]
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
[
  Cu  Cu0  1  0.3029  0.0000  0.5558  1
  Cu  Cu1  1  0.8081  0.5000  0.5372  1
  Cu  Cu2  1  0.9589  0.0000  0.4275  1
  H  H3  1  0.0448  0.5000  0.3860  1
  H  H4  1  0.1250  0.5000  0.5936  1
  H  H5  1  0.6233  0.0000  0.5000  1
]