data_[Zr10Cu4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7492]
_cell_length_b [8.7534]
_cell_length_c [5.7559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Zr5Cu2H]
_chemical_formula_sum '[Zr10 Cu4 H2]'
_cell_volume [296.6708]
_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
[
  Zr  Zr0  4  0.4458  0.3102  0.0442  1
  Zr  Zr1  2  0.2453  0.0000  0.0002  1
  Zr  Zr2  2  0.2525  0.5000  0.3657  1
  Zr  Zr3  2  0.3946  0.0000  0.6504  1
  Cu  Cu4  4  0.0152  0.2482  0.5421  1
  H  H5  2  0.4072  0.5000  0.8119  1
]