data_BePt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.46
_cell_angle_alpha   114.87
_cell_angle_beta   114.87
_cell_angle_gamma   31.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePt2Au
_chemical_formula_sum   'Be1 Pt2 Au1'
_cell_volume   58.19
_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  Be1  1  1.0  0.0  0.14  1.0
  Pt  Pt2  1  0.44  0.0  0.14  1.0
  Pt  Pt3  1  0.11  0.0  0.99  1.0
  Au  Au0  1  0.75  0.0  0.76  1.0

data_BePt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.46
_cell_length_c   5.27
_cell_angle_alpha   114.87
_cell_angle_beta   105.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePt2Au
_chemical_formula_sum   'Be1 Pt2 Au1'
_cell_volume   58.19
_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  0.14  1.0  1.0
  Pt  Pt1  1  0.0  0.14  0.44  1.0
  Pt  Pt2  1  0.0  0.99  0.11  1.0
  Au  Au3  1  0.0  0.76  0.75  1.0

Be Pt Pt Au