data_Ba2YTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15
_cell_length_b   9.15
_cell_length_c   4.74
_cell_angle_alpha   104.1
_cell_angle_beta   104.1
_cell_angle_gamma   22.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YTc
_chemical_formula_sum   'Ba2 Y1 Tc1'
_cell_volume   148.4
_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  0.02  0.0  0.98  1.0
  Ba  Ba1  1  0.74  0.0  0.6  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.38  0.0  0.29  1.0

data_Ba2YTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.74
_cell_length_c   9.15
_cell_angle_alpha   104.1
_cell_angle_beta   101.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YTc
_chemical_formula_sum   'Ba2 Y1 Tc1'
_cell_volume   148.4
_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  0.6  0.74  1.0
  Ba  Ba1  1  0.0  0.98  0.02  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.29  0.38  1.0

Ba Ba Y Tc