data_CaTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.41
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Sb
_chemical_formula_sum   'Ca1 Tc2 Sb1'
_cell_volume   81.56
_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  0.02  0.0  0.83  1.0
  Tc  Tc2  1  0.05  0.0  0.23  1.0
  Tc  Tc3  1  0.39  0.21  1.0  1.0
  Sb  Sb1  1  0.43  0.21  0.39  1.0

data_CaTc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.41
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   103.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTc2Sb
_chemical_formula_sum   'Ca1 Tc2 Sb1'
_cell_volume   81.56
_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  0.02  0.0  0.83  1.0
  Tc  Tc1  1  0.05  0.0  0.23  1.0
  Tc  Tc2  1  0.39  0.21  1.0  1.0
  Sb  Sb3  1  0.43  0.21  0.39  1.0

Ca Tc Tc Sb
Ca Tc Tc Sb 0 2 o o o 1 3 o o o 