data_BeOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   146.73
_cell_angle_beta   131.51
_cell_angle_gamma   60.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeOs2Se
_chemical_formula_sum   'Be1 Os2 Se1'
_cell_volume   55.06
_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  0.72  1.0
  Os  Os1  1  0.0  0.11  0.35  1.0
  Os  Os2  1  0.0  0.0  0.3  1.0
  Se  Se3  1  0.47  0.0  0.4  1.0

data_BeOs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.22
_cell_length_c   5.13
_cell_angle_alpha   114.25
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeOs2Se
_chemical_formula_sum   'Be1 Os2 Se1'
_cell_volume   55.06
_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  0.72  0.72  1.0
  Os  Os1  1  0.0  0.3  0.3  1.0
  Os  Os2  1  0.89  0.24  0.24  1.0
  Se  Se3  1  0.0  0.4  0.93  1.0

Be Os Os Se