data_BeOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeOsCl2
_chemical_formula_sum   'Be1 Os1 Cl2'
_cell_volume   57.24
_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
  Os  Os3  1  0.04  0.0  0.0  1.0
  Cl  Cl1  1  0.52  0.57  0.5  1.0
  Cl  Cl2  1  0.52  0.43  0.5  1.0

data_BeOsCl2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.0
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   BeOsCl2
_chemical_formula_sum   'Be1 Os1 Cl2'
_cell_volume   57.27
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Os  Os1  1  0.0  0.0  0.96  1.0
  Cl  Cl2  2  0.5  0.43  0.48  1.0

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