data_CaTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.69
_cell_angle_alpha   104.36
_cell_angle_beta   104.36
_cell_angle_gamma   38.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Tc
_chemical_formula_sum   'Ca1 Tl2 Tc1'
_cell_volume   95.66
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.21  0.0  0.59  1.0
  Tl  Tl3  1  0.23  0.0  0.9  1.0
  Tc  Tc1  1  0.22  0.0  0.75  1.0

data_CaTl2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.27
_cell_length_c   5.69
_cell_angle_alpha   104.36
_cell_angle_beta   90.0
_cell_angle_gamma   109.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Tc
_chemical_formula_sum   'Ca1 Tl2 Tc1'
_cell_volume   95.66
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.77  0.1  1.0
  Tl  Tl2  1  0.0  0.79  0.41  1.0
  Tc  Tc3  1  0.0  0.78  0.25  1.0

Ca Tl Tl Tc