data_Be2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.19
_cell_angle_alpha   107.75
_cell_angle_beta   107.75
_cell_angle_gamma   113.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeOs
_chemical_formula_sum   'Be2 Te1 Os1'
_cell_volume   59.25
_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  0.35  0.07  0.0  1.0
  Be  Be1  1  0.35  0.93  0.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.7  0.0  0.0  1.0

data_Be2TeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.48
_cell_length_c   4.95
_cell_angle_alpha   116.15
_cell_angle_beta   107.75
_cell_angle_gamma   92.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeOs
_chemical_formula_sum   'Be2 Te1 Os1'
_cell_volume   59.25
_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  0.07  0.07  0.42  1.0
  Be  Be1  1  0.93  0.93  0.28  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.7  1.0

Be Be Te Os
Be Be Te Os 0 1 o - o 0 2 o o o 1 3 o + o 2 3 - o o 