data_Be2CdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   140.38
_cell_angle_beta   124.22
_cell_angle_gamma   70.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdIr
_chemical_formula_sum   'Be2 Cd1 Ir1'
_cell_volume   53.14
_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  0.59  0.0  0.05  1.0
  Be  Be1  1  0.0  0.19  0.77  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.82  1.0

data_Be2CdIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.38
_cell_length_c   4.68
_cell_angle_alpha   117.89
_cell_angle_beta   109.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CdIr
_chemical_formula_sum   'Be2 Cd1 Ir1'
_cell_volume   53.14
_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  0.05  0.47  1.0
  Be  Be1  1  0.81  0.58  0.58  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.82  0.82  1.0

Be Be Cd Ir