data_[Rb12As4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [14.9525]
_cell_length_b [4.7403]
_cell_length_c [11.4865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3AsH]
_chemical_formula_sum '[Rb12 As4 H4]'
_cell_volume [798.7151]
_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
[
  Rb  Rb0  4  0.1148  0.5000  0.2325  1.0
  Rb  Rb1  4  0.1438  0.0000  0.8963  1.0
  Rb  Rb2  4  0.1464  0.5000  0.5981  1.0
  As  As3  4  0.0285  0.0000  0.4064  1.0
  H  H4  4  0.2439  0.0000  0.1514  1.0
]