data_BeGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2Mo
_chemical_formula_sum   'Be1 Ge2 Mo1'
_cell_volume   62.26
_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  0.11  1.0
  Ge  Ge1  1  0.79  0.0  0.5  1.0
  Ge  Ge2  1  0.0  0.0  0.79  1.0
  Mo  Mo3  1  0.79  0.0  0.74  1.0

data_BeGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2Mo
_chemical_formula_sum   'Be1 Ge2 Mo1'
_cell_volume   62.26
_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  0.11  1.0
  Ge  Ge1  1  0.0  0.0  0.79  1.0
  Ge  Ge2  1  0.79  0.0  0.5  1.0
  Mo  Mo3  1  0.79  0.0  0.74  1.0

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