data_BeCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46
_cell_length_b   3.45
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Ni
_chemical_formula_sum   'Be1 Co2 Ni1'
_cell_volume   40.6
_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
  Co  Co1  1  0.23  0.73  0.13  1.0
  Co  Co2  1  0.23  0.73  0.65  1.0
  Ni  Ni3  1  0.0  0.0  0.39  1.0

data_BeCo2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   3.45
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Ni
_chemical_formula_sum   'Be1 Co2 Ni1'
_cell_volume   40.6
_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
  Co  Co1  1  0.23  0.73  0.13  1.0
  Co  Co2  1  0.23  0.73  0.65  1.0
  Ni  Ni3  1  0.0  0.0  0.39  1.0

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