data_Ca2TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67
_cell_length_b   9.67
_cell_length_c   9.67
_cell_angle_alpha   22.63
_cell_angle_beta   22.63
_cell_angle_gamma   22.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TcSb
_chemical_formula_sum   'Ca2 Tc1 Sb1'
_cell_volume   117.27
_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  0.63  1.0
  Ca  Ca1  1  0.0  0.0  0.72  1.0
  Tc  Tc3  1  0.0  0.0  0.65  1.0
  Sb  Sb2  1  0.0  0.0  0.61  1.0

data_Ca2TcSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   3.79
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2TcSb
_chemical_formula_sum   'Ca4 Tc2 Sb2'
_cell_volume   234.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.28  1.0
  Ca  Ca1  2  -0.0  0.0  0.37  1.0
  Tc  Tc2  2  -0.0  0.0  0.35  1.0
  Sb  Sb3  2  -0.0  0.0  0.39  1.0

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