data_BeFeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   2.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeNi
_chemical_formula_sum   'Be1 Fe1 Ni1'
_cell_volume   30.3
_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  0.25  1.0
  Fe  Fe1  1  0.0  0.19  0.79  1.0
  Ni  Ni2  1  0.9  0.1  0.82  1.0

data_BeFeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.43
_cell_length_b   3.8
_cell_length_c   3.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeNi
_chemical_formula_sum   'Be1 Fe1 Ni1'
_cell_volume   30.3
_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  0.25  0.0  0.0  1.0
  Fe  Fe1  1  0.79  0.0  0.19  1.0
  Ni  Ni2  1  0.82  0.9  0.1  1.0

Be Fe Ni
Be Fe Ni 0 1 o o - 0 1 o o o 0 2 - o - 0 2 - o o 1 2 - o o 