data_BePAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.41
_cell_length_c   2.75
_cell_angle_alpha   80.41
_cell_angle_beta   75.1
_cell_angle_gamma   24.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePAu
_chemical_formula_sum   'Be1 P1 Au1'
_cell_volume   45.47
_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  0.71  0.15  0.32  1.0
  P  P2  1  0.71  0.15  0.62  1.0
  Au  Au0  1  0.71  0.15  0.41  1.0

data_BePAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.43
_cell_length_b   12.35
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   128.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BePAu
_chemical_formula_sum   'Be2 P2 Au2'
_cell_volume   90.95
_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  0.15  0.0  0.97  1.0
  P  P1  2  0.15  0.0  0.67  1.0
  Au  Au2  2  0.15  0.0  0.87  1.0

Be P Au