data_BeNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   143.01
_cell_angle_beta   127.78
_cell_angle_gamma   65.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Au
_chemical_formula_sum   'Be1 Ni2 Au1'
_cell_volume   47.79
_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  0.87  1.0
  Ni  Ni2  1  0.48  0.0  0.23  1.0
  Ni  Ni3  1  0.0  0.0  0.94  1.0
  Au  Au0  1  0.48  0.0  0.73  1.0

data_BeNi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.11
_cell_length_c   4.67
_cell_angle_alpha   116.11
_cell_angle_beta   108.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Au
_chemical_formula_sum   'Be1 Ni2 Au1'
_cell_volume   47.79
_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  0.13  0.13  0.13  1.0
  Ni  Ni1  1  0.06  0.06  0.06  1.0
  Ni  Ni2  1  0.25  0.77  0.25  1.0
  Au  Au3  1  0.75  0.27  0.75  1.0

Be Ni Ni Au