data_CaTcBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   154.1
_cell_angle_beta   148.69
_cell_angle_gamma   41.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcBi2
_chemical_formula_sum   'Ca1 Tc1 Bi2'
_cell_volume   106.41
_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  Ca2  1  0.0  0.0  0.14  1.0
  Tc  Tc3  1  0.0  0.1  0.16  1.0
  Bi  Bi0  1  0.0  0.0  0.58  1.0
  Bi  Bi1  1  0.74  0.0  0.25  1.0

data_CaTcBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.2
_cell_length_c   7.77
_cell_angle_alpha   105.66
_cell_angle_beta   102.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcBi2
_chemical_formula_sum   'Ca1 Tc1 Bi2'
_cell_volume   106.41
_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  0.14  0.14  1.0
  Tc  Tc1  1  0.9  0.06  0.06  1.0
  Bi  Bi2  1  0.0  0.25  0.51  1.0
  Bi  Bi3  1  0.0  0.58  0.58  1.0

Ca Tc Bi Bi