data_ZrBeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   18.01
_cell_angle_beta   18.01
_cell_angle_gamma   18.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeIr2
_chemical_formula_sum   'Zr1 Be1 Ir2'
_cell_volume   60.44
_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
  Zr  Zr3  1  0.0  0.0  0.16  1.0
  Be  Be0  1  0.0  0.0  0.6  1.0
  Ir  Ir1  1  0.0  0.0  0.21  1.0
  Ir  Ir2  1  0.0  0.0  0.77  1.0

data_ZrBeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   100.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBeIr2
_chemical_formula_sum   'Zr2 Be2 Ir4'
_cell_volume   120.88
_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
  Zr  Zr0  2  0.0  0.0  0.84  1.0
  Be  Be1  2  0.0  0.0  0.4  1.0
  Ir  Ir2  2  0.0  0.0  0.23  1.0
  Ir  Ir3  2  0.0  0.0  0.79  1.0

Zr Be Ir Ir