data_BeFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   135.02
_cell_angle_beta   135.02
_cell_angle_gamma   65.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeGe2
_chemical_formula_sum   'Be1 Fe1 Ge2'
_cell_volume   51.12
_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  0.8  0.0  0.98  1.0
  Ge  Ge2  1  0.0  0.0  0.95  1.0
  Ge  Ge3  1  0.0  0.8  0.98  1.0

data_BeFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   4.7
_cell_angle_alpha   112.49
_cell_angle_beta   112.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeGe2
_chemical_formula_sum   'Be1 Fe1 Ge2'
_cell_volume   51.12
_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  0.98  0.18  0.18  1.0
  Ge  Ge2  1  0.18  0.98  0.18  1.0
  Ge  Ge3  1  0.95  0.95  0.95  1.0

Be Fe Ge Ge