data_BeZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53
_cell_length_b   3.81
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnNi2
_chemical_formula_sum   'Be1 Zn1 Ni2'
_cell_volume   43.16
_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  0.42  0.0  0.58  1.0
  Zn  Zn3  1  0.52  0.91  0.13  1.0
  Ni  Ni1  1  0.78  0.91  0.25  1.0
  Ni  Ni2  1  0.72  0.0  0.23  1.0

data_BeZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   3.81
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnNi2
_chemical_formula_sum   'Be1 Zn1 Ni2'
_cell_volume   43.16
_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  0.42  0.0  0.58  1.0
  Zn  Zn1  1  0.52  0.91  0.13  1.0
  Ni  Ni2  1  0.72  0.0  0.23  1.0
  Ni  Ni3  1  0.78  0.91  0.25  1.0

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