data_[Bi4As4Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6035]
_cell_length_b [6.5259]
_cell_length_c [6.6345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiAsIr]
_chemical_formula_sum '[Bi4 As4 Ir4]'
_cell_volume [261.1890]
_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  0.1533  0.6298  0.3662  1.0
  As  As1  4  0.3516  0.1396  0.6716  1.0
  Ir  Ir2  4  0.2949  0.0163  0.2989  1.0
]