data_BeFe2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   3.45
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   91.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFe2Cu
_chemical_formula_sum   'Be1 Fe2 Cu1'
_cell_volume   43.37
_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  0.0  1.0
  Fe  Fe2  1  0.18  0.73  0.83  1.0
  Fe  Fe3  1  0.18  0.73  0.17  1.0
  Cu  Cu1  1  0.93  0.0  0.5  1.0

data_BeFe2Cu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.51
_cell_length_b   5.01
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeFe2Cu
_chemical_formula_sum   'Be1 Fe2 Cu1'
_cell_volume   43.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Fe  Fe1  2  0.18  0.17  0.73  1.0
  Cu  Cu2  1  0.93  0.5  0.0  1.0

Be Fe Fe Cu