data_[Zr10In4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6433]
_cell_length_b [4.2077]
_cell_length_c [7.3191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5(InH)2]
_chemical_formula_sum '[Zr10 In4 H4]'
_cell_volume [326.2411]
_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  0.1419  0.0000  0.4289  1.0
  Zr  Zr1  4  0.2166  0.5000  0.1465  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0698  0.5000  0.7188  1.0
  H  H4  4  0.1779  0.0000  0.1346  1.0
]