data_BeGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGe2Os
_chemical_formula_sum   'Be1 Ge2 Os1'
_cell_volume   62.66
_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  0.46  1.0
  Ge  Ge1  1  0.48  0.0  0.48  1.0
  Ge  Ge2  1  0.0  0.0  0.31  1.0
  Os  Os3  1  0.48  0.0  0.19  1.0

data_BeGe2Os
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.79
_cell_length_b   8.96
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   115.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BeGe2Os
_chemical_formula_sum   'Be1 Ge2 Os1'
_cell_volume   62.66
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.54  0.0  1.0
  Ge  Ge1  1  0.0  0.69  0.0  1.0
  Ge  Ge2  1  0.5  0.52  0.0  1.0
  Os  Os3  1  0.5  0.81  0.0  1.0

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