data_BeNiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiGe2
_chemical_formula_sum   'Be1 Ni1 Ge2'
_cell_volume   56.23
_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  0.2  1.0
  Ni  Ni3  1  0.95  0.0  0.27  1.0
  Ge  Ge1  1  0.95  0.0  0.48  1.0
  Ge  Ge2  1  0.0  0.0  0.94  1.0

data_BeNiGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeNiGe2
_chemical_formula_sum   'Be1 Ni1 Ge2'
_cell_volume   56.25
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.2  1.0
  Ni  Ni1  1  0.95  0.0  0.27  1.0
  Ge  Ge2  1  0.0  0.0  0.94  1.0
  Ge  Ge3  1  0.95  0.0  0.48  1.0

Be Ni Ge Ge