data_BeCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   3.27
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoNi2
_chemical_formula_sum   'Be1 Co1 Ni2'
_cell_volume   40.27
_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  0.45  1.0
  Co  Co1  1  0.24  0.63  0.71  1.0
  Ni  Ni2  1  0.0  0.0  0.95  1.0
  Ni  Ni3  1  0.24  0.63  0.33  1.0

data_BeCoNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   3.27
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoNi2
_chemical_formula_sum   'Be1 Co1 Ni2'
_cell_volume   40.27
_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  0.45  1.0
  Co  Co1  1  0.24  0.63  0.71  1.0
  Ni  Ni2  1  0.0  0.0  0.95  1.0
  Ni  Ni3  1  0.24  0.63  0.33  1.0

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