data_[Sr8Bi2As2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [I4mm]
_cell_length_a [4.9450]
_cell_length_b [4.9450]
_cell_length_c [17.7133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Sr4BiAsH]
_chemical_formula_sum '[Sr8 Bi2 As2 H2]'
_cell_volume [433.1449]
_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
[
  Sr  Sr0  4  0.0000  0.5000  0.4970  1.0
  Sr  Sr1  2  0.0000  0.0000  0.1913  1.0
  Sr  Sr2  2  0.0000  0.0000  0.8287  1.0
  Bi  Bi3  2  0.0000  0.0000  0.6393  1.0
  As  As4  2  0.0000  0.0000  0.3742  1.0
  H  H5  2  0.0000  0.0000  0.9725  1.0
]