data_BeFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.33
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   95.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeGe2
_chemical_formula_sum   'Be1 Fe1 Ge2'
_cell_volume   50.35
_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  0.77  0.0  0.58  1.0
  Ge  Ge2  1  0.19  0.67  0.87  1.0
  Ge  Ge3  1  0.28  0.67  0.29  1.0

data_BeFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.33
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   95.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeGe2
_chemical_formula_sum   'Be1 Fe1 Ge2'
_cell_volume   50.35
_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  0.77  0.0  0.58  1.0
  Ge  Ge2  1  0.19  0.67  0.87  1.0
  Ge  Ge3  1  0.28  0.67  0.29  1.0

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