data_CaSi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.56
_cell_angle_alpha   117.27
_cell_angle_beta   117.27
_cell_angle_gamma   45.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi2Tc
_chemical_formula_sum   'Ca1 Si2 Tc1'
_cell_volume   76.74
_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  0.35  0.0  0.15  1.0
  Si  Si1  1  0.24  0.0  0.6  1.0
  Si  Si2  1  0.0  0.0  0.29  1.0
  Tc  Tc3  1  0.61  0.0  0.51  1.0

data_CaSi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.36
_cell_length_c   5.98
_cell_angle_alpha   76.9
_cell_angle_beta   73.77
_cell_angle_gamma   67.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSi2Tc
_chemical_formula_sum   'Ca1 Si2 Tc1'
_cell_volume   76.74
_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  0.21  0.15  1.0
  Tc  Tc1  1  0.0  0.1  0.51  1.0
  Si  Si2  1  0.0  0.64  0.6  1.0
  Si  Si3  1  0.0  0.71  0.29  1.0

Ca Si Si Tc