data_Be2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   19.93
_cell_angle_beta   19.93
_cell_angle_gamma   19.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiGe
_chemical_formula_sum   'Be2 Ni1 Ge1'
_cell_volume   45.77
_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  0.85  1.0
  Be  Be1  1  0.0  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.27  1.0

data_Be2NiGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   2.65
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   101.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2NiGe
_chemical_formula_sum   'Be4 Ni2 Ge2'
_cell_volume   91.54
_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  0.15  1.0
  Be  Be1  2  0.0  0.0  0.32  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.73  1.0

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