data_Be2CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   144.72
_cell_angle_beta   132.49
_cell_angle_gamma   60.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoAu
_chemical_formula_sum   'Be2 Co1 Au1'
_cell_volume   44.43
_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  0.07  1.0
  Be  Be2  1  0.43  0.0  0.05  1.0
  Co  Co3  1  0.0  0.0  0.95  1.0
  Au  Au0  1  0.0  0.9  0.09  1.0

data_Be2CoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.8
_cell_length_c   4.72
_cell_angle_alpha   113.75
_cell_angle_beta   107.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoAu
_chemical_formula_sum   'Be2 Co1 Au1'
_cell_volume   44.43
_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  0.05  0.62  1.0
  Be  Be1  1  0.0  0.07  0.07  1.0
  Co  Co2  1  0.0  0.95  0.95  1.0
  Au  Au3  1  0.1  0.18  0.18  1.0

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