data_BeFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   4.61
_cell_angle_alpha   98.54
_cell_angle_beta   98.54
_cell_angle_gamma   41.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeGe2
_chemical_formula_sum   'Be1 Fe1 Ge2'
_cell_volume   51.96
_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
  Fe  Fe1  1  0.5  0.0  0.28  1.0
  Ge  Ge2  1  0.67  0.0  0.18  1.0
  Ge  Ge3  1  0.32  0.0  0.38  1.0

data_BeFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.14
_cell_length_c   4.61
_cell_angle_alpha   98.54
_cell_angle_beta   90.0
_cell_angle_gamma   110.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeGe2
_chemical_formula_sum   'Be1 Fe1 Ge2'
_cell_volume   51.96
_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
  Fe  Fe1  1  0.0  0.5  0.72  1.0
  Ge  Ge2  1  0.0  0.33  0.82  1.0
  Ge  Ge3  1  0.0  0.68  0.62  1.0

Be Fe Ge Ge