data_Ba2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   9.9
_cell_length_c   3.66
_cell_angle_alpha   95.93
_cell_angle_beta   95.93
_cell_angle_gamma   20.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcOs
_chemical_formula_sum   'Ba2 Tc1 Os1'
_cell_volume   127.84
_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
  Ba  Ba0  1  0.57  0.0  0.1  1.0
  Ba  Ba1  1  0.5  0.0  0.55  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.54  0.0  0.82  1.0

data_Ba2TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.66
_cell_length_c   9.9
_cell_angle_alpha   95.93
_cell_angle_beta   100.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcOs
_chemical_formula_sum   'Ba2 Tc1 Os1'
_cell_volume   127.84
_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
  Ba  Ba0  1  0.0  0.1  0.57  1.0
  Ba  Ba1  1  0.0  0.55  0.5  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.82  0.54  1.0

Ba Ba Tc Os