data_BeNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.36
_cell_angle_alpha   129.32
_cell_angle_beta   129.32
_cell_angle_gamma   74.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbNi2
_chemical_formula_sum   'Be1 Nb1 Ni2'
_cell_volume   48.19
_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
  Nb  Nb1  1  0.86  0.0  0.73  1.0
  Ni  Ni2  1  0.0  0.0  0.47  1.0
  Ni  Ni3  1  0.0  0.86  0.73  1.0

data_BeNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   4.36
_cell_angle_alpha   115.34
_cell_angle_beta   115.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbNi2
_chemical_formula_sum   'Be1 Nb1 Ni2'
_cell_volume   48.19
_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
  Nb  Nb1  1  0.27  0.0  0.13  1.0
  Ni  Ni2  1  0.13  0.86  0.13  1.0
  Ni  Ni3  1  0.53  0.0  0.53  1.0

Be Nb Ni Ni