data_Be2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   22.8
_cell_angle_beta   22.8
_cell_angle_gamma   22.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TeOs
_chemical_formula_sum   'Be2 Te1 Os1'
_cell_volume   60.3
_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  0.3  1.0
  Be  Be1  1  0.0  0.0  0.21  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.25  1.0

data_Be2TeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   103.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2TeOs
_chemical_formula_sum   'Be4 Te2 Os2'
_cell_volume   120.6
_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  0.7  1.0
  Be  Be1  2  -0.0  0.0  0.79  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  -0.0  0.0  0.75  1.0

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