data_BaCr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   153.1
_cell_angle_beta   146.83
_cell_angle_gamma   43.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Tc
_chemical_formula_sum   'Ba1 Cr2 Tc1'
_cell_volume   88.72
_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  0.03  0.98  1.0
  Cr  Cr1  1  0.0  0.0  0.38  1.0
  Cr  Cr2  1  0.65  0.0  0.79  1.0
  Tc  Tc3  1  0.0  0.0  0.07  1.0

data_BaCr2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.06
_cell_length_c   7.11
_cell_angle_alpha   106.59
_cell_angle_beta   103.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCr2Tc
_chemical_formula_sum   'Ba1 Cr2 Tc1'
_cell_volume   88.72
_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  0.97  0.95  0.95  1.0
  Cr  Cr1  1  0.0  0.38  0.38  1.0
  Cr  Cr2  1  0.0  0.79  0.14  1.0
  Tc  Tc3  1  0.0  0.07  0.07  1.0

Ba Cr Cr Tc