data_Be2CuIr
_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   137.97
_cell_angle_beta   137.97
_cell_angle_gamma   60.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuIr
_chemical_formula_sum   'Be2 Cu1 Ir1'
_cell_volume   43.1
_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  0.65  0.0  0.98  1.0
  Cu  Cu2  1  0.0  0.0  0.96  1.0
  Ir  Ir3  1  0.0  0.65  0.98  1.0

data_Be2CuIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   4.6
_cell_angle_alpha   111.02
_cell_angle_beta   111.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CuIr
_chemical_formula_sum   'Be2 Cu1 Ir1'
_cell_volume   43.1
_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  0.98  0.33  0.33  1.0
  Cu  Cu2  1  0.96  0.96  0.96  1.0
  Ir  Ir3  1  0.33  0.98  0.33  1.0

Be Be Cu Ir