data_Be2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49
_cell_length_b   3.5
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeCo
_chemical_formula_sum   'Be2 Fe1 Co1'
_cell_volume   36.5
_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  0.88  0.75  0.13  1.0
  Be  Be1  1  0.01  0.0  0.11  1.0
  Fe  Fe3  1  0.61  0.0  0.32  1.0
  Co  Co2  1  0.78  0.75  0.89  1.0

data_Be2FeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   3.5
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeCo
_chemical_formula_sum   'Be2 Fe1 Co1'
_cell_volume   36.5
_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  0.01  0.0  0.11  1.0
  Be  Be1  1  0.88  0.75  0.13  1.0
  Fe  Fe2  1  0.61  0.0  0.32  1.0
  Co  Co3  1  0.78  0.75  0.89  1.0

Be Be Fe Co
Be Be Fe Co 0 3 o o - 0 1 + + o 0 2 o + o 1 2 o o o 1 2 - o o 