data_BaSc2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   7.12
_cell_angle_alpha   111.29
_cell_angle_beta   111.29
_cell_angle_gamma   48.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSc2Tc
_chemical_formula_sum   'Ba1 Sc2 Tc1'
_cell_volume   120.42
_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  0.75  0.0  0.74  1.0
  Sc  Sc1  1  0.91  0.0  0.77  1.0
  Sc  Sc2  1  0.27  0.0  0.28  1.0
  Tc  Tc3  1  0.44  0.0  1.0  1.0

data_BaSc2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.97
_cell_length_c   7.05
_cell_angle_alpha   70.19
_cell_angle_beta   73.25
_cell_angle_gamma   65.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSc2Tc
_chemical_formula_sum   'Ba1 Sc2 Tc1'
_cell_volume   120.42
_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  0.01  0.74  1.0
  Sc  Sc1  1  0.0  0.14  0.77  1.0
  Sc  Sc2  1  0.0  0.99  0.28  1.0
  Tc  Tc3  1  0.0  0.44  1.0  1.0

Ba Sc Sc Tc