data_BeAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Au
_chemical_formula_sum   'Be1 As2 Au1'
_cell_volume   70.25
_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  Be3  1  0.0  0.0  0.41  1.0
  As  As0  1  0.87  0.0  0.72  1.0
  As  As1  1  0.0  0.0  0.5  1.0
  Au  Au2  1  0.87  0.0  0.03  1.0

data_BeAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAs2Au
_chemical_formula_sum   'Be1 As2 Au1'
_cell_volume   70.25
_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  0.41  1.0
  As  As1  1  0.0  0.0  0.5  1.0
  As  As2  1  0.87  0.0  0.72  1.0
  Au  Au3  1  0.87  0.0  0.03  1.0

Be As As Au