data_[Zr12Sn4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1093]
_cell_length_b [10.4884]
_cell_length_c [5.1115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr3SnH2]
_chemical_formula_sum '[Zr12 Sn4 H8]'
_cell_volume [381.1406]
_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
[
  Zr  Zr0  8  0.2212  0.3885  0.2500  1.0
  Zr  Zr1  4  0.0000  0.1328  0.2500  1.0
  Sn  Sn2  4  0.0000  0.3310  0.7500  1.0
  H  H3  8  0.1360  0.0000  0.0000  1.0
]