data_[Sm10Bi8As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [10.0205]
_cell_length_b [10.0205]
_cell_length_c [6.3564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Sm5Bi4As]
_chemical_formula_sum '[Sm10 Bi8 As2]'
_cell_volume [638.2492]
_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  0.0974  0.7154  0.0000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  8  0.0948  0.6974  0.5000  1.0
  As  As3  2  0.0000  0.0000  0.0000  1.0
]