data_[Zr6Cd2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1193]
_cell_length_b [6.2907]
_cell_length_c [9.5477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr3CdH]
_chemical_formula_sum '[Zr6 Cd2 H2]'
_cell_volume [187.3507]
_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  2  0.5000  0.2513  0.1481  1.0
  Zr  Zr1  2  0.5000  0.2564  0.6601  1.0
  Zr  Zr2  1  0.0000  0.0000  0.3955  1.0
  Zr  Zr3  1  0.0000  0.5000  0.4039  1.0
  Cd  Cd4  1  0.0000  0.0000  0.8953  1.0
  Cd  Cd5  1  0.0000  0.5000  0.9041  1.0
  H  H6  1  0.0000  0.0000  0.1772  1.0
  H  H7  1  0.5000  0.0000  0.5345  1.0
]