data_BeOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   18.43
_cell_angle_beta   18.43
_cell_angle_gamma   18.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeOsAu2
_chemical_formula_sum   'Be1 Os1 Au2'
_cell_volume   58.97
_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  Be2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.93  1.0
  Au  Au0  1  0.0  0.0  0.73  1.0
  Au  Au1  1  0.0  0.0  0.14  1.0

data_BeOsAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeOsAu2
_chemical_formula_sum   'Be2 Os2 Au4'
_cell_volume   117.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.0  0.0  0.07  1.0
  Au  Au2  2  0.0  0.0  0.27  1.0
  Au  Au3  2  0.0  0.0  0.86  1.0

Be Os Au Au
Be Os Au Au 0 1 o o - 0 3 o o o 1 2 o o o 