data_Be2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   147.2
_cell_angle_beta   134.51
_cell_angle_gamma   57.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2IrPt
_chemical_formula_sum   'Be2 Ir1 Pt1'
_cell_volume   47.24
_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  0.01  1.0
  Be  Be1  1  0.41  0.0  0.18  1.0
  Ir  Ir2  1  0.0  0.0  0.29  1.0
  Pt  Pt3  1  0.0  0.92  0.27  1.0

data_Be2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.85
_cell_length_c   4.98
_cell_angle_alpha   112.75
_cell_angle_beta   106.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2IrPt
_chemical_formula_sum   'Be2 Ir1 Pt1'
_cell_volume   47.24
_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  0.23  0.82  0.23  1.0
  Be  Be1  1  0.99  0.99  0.99  1.0
  Ir  Ir2  1  0.71  0.71  0.71  1.0
  Pt  Pt3  1  0.73  0.66  0.66  1.0

Be Be Ir Pt
Be Be Ir Pt 0 3 o - o 0 1 o o o 0 2 o o o 2 3 o - o 