data_[Sm10As8H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3023]
_cell_length_b [9.3023]
_cell_length_c [5.8948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Sm5As4H]
_chemical_formula_sum '[Sm10 As8 H2]'
_cell_volume [510.0992]
_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
[
  Sm  Sm0  8  0.1045  0.6932  0.9999  1
  Sm  Sm1  2  0.0000  0.0000  0.4611  1
  As  As2  8  0.0996  0.7021  0.4998  1
  H  H3  2  0.0000  0.0000  0.0503  1
]