data_BeAgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   3.05
_cell_angle_alpha   104.94
_cell_angle_beta   104.94
_cell_angle_gamma   121.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgGe2
_chemical_formula_sum   'Be1 Ag1 Ge2'
_cell_volume   67.57
_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  Be1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.7  0.0  0.0  1.0
  Ge  Ge2  1  0.35  0.41  0.0  1.0
  Ge  Ge3  1  0.35  0.59  0.0  1.0

data_BeAgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.59
_cell_length_c   5.53
_cell_angle_alpha   113.79
_cell_angle_beta   104.94
_cell_angle_gamma   92.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgGe2
_chemical_formula_sum   'Be1 Ag1 Ge2'
_cell_volume   67.57
_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
  Ag  Ag1  1  0.0  0.0  0.7  1.0
  Ge  Ge2  1  0.41  0.41  0.76  1.0
  Ge  Ge3  1  0.59  0.59  0.94  1.0

Be Ag Ge Ge
Be Ag Ge Ge 0 1 - o o 2 3 o o o 