data_Be2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   36.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcOs
_chemical_formula_sum   'Be2 Tc1 Os1'
_cell_volume   44.09
_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  0.83  0.0  0.57  1.0
  Be  Be1  1  0.0  0.0  0.73  1.0
  Tc  Tc3  1  0.0  0.0  0.06  1.0
  Os  Os2  1  0.83  0.0  0.75  1.0

data_Be2TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.67
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TcOs
_chemical_formula_sum   'Be2 Tc1 Os1'
_cell_volume   44.09
_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  0.27  0.0  0.27  1.0
  Be  Be1  1  0.43  0.83  0.43  1.0
  Tc  Tc2  1  0.94  0.0  0.94  1.0
  Os  Os3  1  0.25  0.83  0.25  1.0

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