data_BeAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   18.24
_cell_angle_beta   18.24
_cell_angle_gamma   18.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgIr2
_chemical_formula_sum   'Be1 Ag1 Ir2'
_cell_volume   55.47
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.76  1.0
  Ir  Ir2  1  0.0  0.0  0.72  1.0
  Ir  Ir3  1  0.0  0.0  0.8  1.0

data_BeAgIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.74
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   100.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAgIr2
_chemical_formula_sum   'Be2 Ag2 Ir4'
_cell_volume   110.95
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  -0.0  0.0  0.24  1.0
  Ir  Ir2  2  -0.0  0.0  0.2  1.0
  Ir  Ir3  2  -0.0  0.0  0.28  1.0

Be Ag Ir Ir
Be Ag Ir Ir 0 3 o o - 1 2 o o o 1 3 o o o 