data_BeNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   133.2
_cell_angle_beta   133.2
_cell_angle_gamma   68.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Au
_chemical_formula_sum   'Be1 Ni2 Au1'
_cell_volume   48.04
_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  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.79  0.0  0.87  1.0
  Ni  Ni3  1  0.0  0.79  0.87  1.0
  Au  Au0  1  0.0  0.0  0.74  1.0

data_BeNi2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   124.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNi2Au
_chemical_formula_sum   'Be2 Ni4 Au2'
_cell_volume   96.08
_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
  Ni  Ni1  4  0.03  0.1  0.93  1.0
  Au  Au2  2  0.26  0.0  0.26  1.0

Be Ni Ni Au