data_BiIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   154.36
_cell_angle_beta   154.36
_cell_angle_gamma   36.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr4
_chemical_formula_sum   'Bi1 Ir4'
_cell_volume   85.36
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.66  1.0
  Ir  Ir2  1  0.0  0.0  0.53  1.0
  Ir  Ir3  1  0.0  0.0  0.09  1.0
  Ir  Ir4  1  0.0  0.0  0.96  1.0

data_BiIr4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   108.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiIr4
_chemical_formula_sum   'Bi2 Ir8'
_cell_volume   170.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.04  1.0
  Ir  Ir2  2  0.0  0.0  0.34  1.0
  Ir  Ir3  2  0.0  0.0  0.47  1.0
  Ir  Ir4  2  0.0  0.0  0.91  1.0

Bi Ir Ir Ir Ir
Bi Ir Ir Ir Ir 0 4 o o - 0 3 o o o 1 2 o o o 