data_Ba2MnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   143.82
_cell_angle_beta   128.69
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnTc
_chemical_formula_sum   'Ba2 Mn1 Tc1'
_cell_volume   122.43
_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  0.0  0.65  1.0
  Ba  Ba1  1  0.0  0.0  0.97  1.0
  Mn  Mn2  1  0.0  0.0  0.28  1.0
  Tc  Tc3  1  0.0  0.79  0.95  1.0

data_Ba2MnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   5.59
_cell_length_c   6.46
_cell_angle_alpha   115.65
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnTc
_chemical_formula_sum   'Ba2 Mn1 Tc1'
_cell_volume   122.43
_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  0.04  0.03  0.04  1.0
  Ba  Ba1  1  0.35  0.35  0.35  1.0
  Mn  Mn2  1  0.72  0.72  0.72  1.0
  Tc  Tc3  1  0.05  0.84  0.84  1.0

Ba Ba Mn Tc
Ba Ba Mn Tc 0 2 o o o 0 1 o o o 1 3 o - o 2 3 o - - 