data_[Ni10As4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3309]
_cell_length_b [3.9392]
_cell_length_c [5.1101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni5(AsH)2]
_chemical_formula_sum '[Ni10 As4 H4]'
_cell_volume [189.8078]
_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
[
  Ni  Ni0  4  0.1309  0.0000  0.6003  1.0
  Ni  Ni1  4  0.1490  0.5000  0.9217  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  As  As3  4  0.1153  0.5000  0.3501  1.0
  H  H4  4  0.1618  0.0000  0.9512  1.0
]