data_[La16Bi10As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.7400]
_cell_length_b [9.7400]
_cell_length_c [9.8410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [La8Bi5As]
_chemical_formula_sum '[La16 Bi10 As2]'
_cell_volume [933.5933]
_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
[
  La  La0  8  0.0695  0.6755  0.5486  1
  La  La1  8  0.0726  0.8021  0.2009  1
  Bi  Bi2  8  0.1184  0.7548  0.8725  1
  Bi  Bi3  2  0.0000  0.0000  0.5000  1
  As  As4  2  0.0000  0.5000  0.2500  1
]