data_Be2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   24.12
_cell_angle_beta   24.12
_cell_angle_gamma   24.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2OsCl
_chemical_formula_sum   'Be2 Os1 Cl1'
_cell_volume   49.95
_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  0.29  1.0
  Be  Be1  1  0.0  0.0  0.04  1.0
  Os  Os3  1  0.0  0.0  0.16  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Be2OsCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   2.92
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2OsCl
_chemical_formula_sum   'Be4 Os2 Cl2'
_cell_volume   99.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.96  1.0
  Be  Be1  2  0.0  0.0  0.71  1.0
  Os  Os2  2  0.0  0.0  0.84  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Be Be Os Cl
Be Be Os Cl 0 2 o o o 1 3 o o o 1 2 o o o 