data_Be2ZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   34.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnIr
_chemical_formula_sum   'Be2 Zn1 Ir1'
_cell_volume   44.62
_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  0.83  0.0  0.63  1.0
  Be  Be1  1  0.0  0.0  0.85  1.0
  Zn  Zn3  1  0.0  0.0  0.17  1.0
  Ir  Ir2  1  0.83  0.0  0.97  1.0

data_Be2ZnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.67
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnIr
_chemical_formula_sum   'Be2 Zn1 Ir1'
_cell_volume   44.62
_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  0.15  0.0  0.15  1.0
  Be  Be1  1  0.37  0.83  0.37  1.0
  Zn  Zn2  1  0.83  0.0  0.83  1.0
  Ir  Ir3  1  0.03  0.83  0.03  1.0

Be Be Zn Ir