data_TaBe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.56
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   43.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Os
_chemical_formula_sum   'Ta1 Be2 Os1'
_cell_volume   51.15
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.68  0.0  0.74  1.0
  Be  Be1  1  0.32  0.0  0.47  1.0
  Os  Os2  1  0.0  0.0  0.11  1.0

data_TaBe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.19
_cell_length_c   4.56
_cell_angle_alpha   110.96
_cell_angle_beta   90.0
_cell_angle_gamma   111.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Os
_chemical_formula_sum   'Ta1 Be2 Os1'
_cell_volume   51.15
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.32  0.26  1.0
  Be  Be2  1  0.0  0.68  0.53  1.0
  Os  Os3  1  0.0  1.0  0.89  1.0

Ta Be Be Os