data_BeTlOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.64
_cell_angle_alpha   96.22
_cell_angle_beta   96.22
_cell_angle_gamma   38.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlOs2
_chemical_formula_sum   'Be1 Tl1 Os2'
_cell_volume   67.45
_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  0.93  0.0  0.85  1.0
  Tl  Tl3  1  0.87  0.0  0.75  1.0
  Os  Os1  1  0.01  0.0  0.13  1.0
  Os  Os2  1  0.64  0.0  0.68  1.0

data_BeTlOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.38
_cell_length_c   5.64
_cell_angle_alpha   96.22
_cell_angle_beta   90.0
_cell_angle_gamma   109.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTlOs2
_chemical_formula_sum   'Be1 Tl1 Os2'
_cell_volume   67.45
_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  0.07  0.15  1.0
  Tl  Tl1  1  0.0  0.13  0.25  1.0
  Os  Os2  1  0.0  0.36  0.32  1.0
  Os  Os3  1  0.0  0.99  0.87  1.0

Be Tl Os Os
Be Tl Os Os 0 1 o o o 0 2 + o + 1 3 o o o 