data_Be2ZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   136.89
_cell_angle_beta   136.89
_cell_angle_gamma   62.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnIr
_chemical_formula_sum   'Be2 Zn1 Ir1'
_cell_volume   44.92
_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  0.69  0.97  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.93  1.0
  Ir  Ir2  1  0.69  0.0  0.97  1.0

data_Be2ZnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   4.6
_cell_angle_alpha   111.56
_cell_angle_beta   111.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnIr
_chemical_formula_sum   'Be2 Zn1 Ir1'
_cell_volume   44.92
_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
  Be  Be1  1  0.73  0.69  0.73  1.0
  Zn  Zn2  1  0.07  0.0  0.07  1.0
  Ir  Ir3  1  0.03  0.0  0.73  1.0

Be Be Zn Ir