data_NiGeB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.3
_cell_angle_alpha   99.53
_cell_angle_beta   99.53
_cell_angle_gamma   47.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGeB2
_chemical_formula_sum   'Ni1 Ge1 B2'
_cell_volume   45.18
_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
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.1  0.0  0.12  1.0
  B  B0  1  0.18  0.0  0.91  1.0
  B  B1  1  0.01  0.0  0.32  1.0

data_NiGeB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.81
_cell_length_c   4.3
_cell_angle_alpha   99.53
_cell_angle_beta   90.0
_cell_angle_gamma   113.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGeB2
_chemical_formula_sum   'Ni1 Ge1 B2'
_cell_volume   45.18
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.9  0.88  1.0
  B  B2  1  0.0  0.82  0.09  1.0
  B  B3  1  0.0  0.99  0.68  1.0

Ni Ge B B
Ni Ge B B 0 1 o o o 0 2 o o - 1 2 o o - 1 3 o o o 