data_CaSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   135.39
_cell_angle_beta   135.39
_cell_angle_gamma   64.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi2Tc
_chemical_formula_sum   'Ca1 Si2 Tc1'
_cell_volume   67.65
_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  0.37  1.0
  Si  Si1  1  0.0  0.97  0.19  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.97  0.0  0.19  1.0

data_CaSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.18
_cell_angle_alpha   112.31
_cell_angle_beta   112.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi2Tc
_chemical_formula_sum   'Ca1 Si2 Tc1'
_cell_volume   67.65
_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  0.37  0.37  0.37  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.19  0.22  0.22  1.0
  Si  Si3  1  0.22  0.19  0.22  1.0

Ca Si Si Tc