data_CaZn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Tc
_chemical_formula_sum   'Ca1 Zn2 Tc1'
_cell_volume   68.31
_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
  Zn  Zn2  1  0.49  0.99  0.44  1.0
  Zn  Zn3  1  0.49  0.01  0.44  1.0
  Tc  Tc1  1  0.97  0.0  0.0  1.0

data_CaZn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   106.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Tc
_chemical_formula_sum   'Ca1 Zn2 Tc1'
_cell_volume   68.31
_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
  Zn  Zn1  1  0.44  0.49  0.01  1.0
  Zn  Zn2  1  0.44  0.49  0.99  1.0
  Tc  Tc3  1  0.0  0.97  0.0  1.0

Ca Zn Zn Tc