data_Be2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26
_cell_length_b   9.26
_cell_length_c   9.26
_cell_angle_alpha   15.27
_cell_angle_beta   15.27
_cell_angle_gamma   15.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Ni3
_chemical_formula_sum   'Be2 Ni3'
_cell_volume   47.99
_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  0.51  1.0
  Be  Be1  1  0.0  0.0  0.95  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.63  1.0
  Ni  Ni4  1  0.0  0.0  0.83  1.0

data_Be2Ni3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   2.46
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   98.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2Ni3
_chemical_formula_sum   'Be4 Ni6'
_cell_volume   95.98
_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  0.0  0.0  0.05  1.0
  Be  Be1  2  0.0  0.0  0.49  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.17  1.0
  Ni  Ni4  2  0.0  0.0  0.37  1.0

Be Be Ni Ni Ni