data_BeCuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   149.03
_cell_angle_beta   149.03
_cell_angle_gamma   44.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuNi
_chemical_formula_sum   'Be1 Cu1 Ni1'
_cell_volume   29.76
_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  0.07  1.0
  Cu  Cu1  1  0.0  0.0  0.09  1.0
  Ni  Ni2  1  0.0  0.0  0.79  1.0

data_BeCuNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   112.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCuNi
_chemical_formula_sum   'Be2 Cu2 Ni2'
_cell_volume   59.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.07  0.0  0.07  1.0
  Cu  Cu1  2  0.09  0.0  0.09  1.0
  Ni  Ni2  2  0.29  0.5  0.79  1.0

Be Cu Ni
Be Cu Ni 0 1 o o o 0 2 o o - 1 2 o o - 