data_BeAgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.74
_cell_angle_alpha   104.12
_cell_angle_beta   104.12
_cell_angle_gamma   118.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgIr2
_chemical_formula_sum   'Be1 Ag1 Ir2'
_cell_volume   57.61
_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  0.66  0.0  0.0  1.0
  Ir  Ir2  1  0.67  0.25  0.2  1.0
  Ir  Ir3  1  0.67  0.75  0.2  1.0

data_BeAgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.68
_cell_length_c   5.23
_cell_angle_alpha   115.88
_cell_angle_beta   104.12
_cell_angle_gamma   92.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgIr2
_chemical_formula_sum   'Be1 Ag1 Ir2'
_cell_volume   57.61
_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  Be0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.66  1.0
  Ir  Ir2  1  0.45  0.25  0.93  1.0
  Ir  Ir3  1  0.95  0.75  0.42  1.0

Be Ag Ir Ir