data_[Bi4As4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [10.5961]
_cell_length_b [4.2156]
_cell_length_c [6.8013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiAsH]
_chemical_formula_sum '[Bi4 As4 H4]'
_cell_volume [303.5873]
_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
[
  Bi  Bi0  4  0.0074  0.5000  0.2254  1
  As  As1  4  0.1696  0.0000  0.7724  1
  H  H2  4  0.1664  0.0000  0.5438  1
]