data_MnTc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   143.22
_cell_angle_beta   130.77
_cell_angle_gamma   63.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Sb
_chemical_formula_sum   'Mn1 Tc2 Sb1'
_cell_volume   60.21
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.62  0.0  0.22  1.0
  Tc  Tc3  1  0.0  0.13  0.15  1.0
  Sb  Sb1  1  0.0  0.0  0.37  1.0

data_MnTc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.27
_cell_length_c   5.12
_cell_angle_alpha   114.61
_cell_angle_beta   108.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Sb
_chemical_formula_sum   'Mn1 Tc2 Sb1'
_cell_volume   60.21
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.22  0.61  1.0
  Tc  Tc2  1  0.87  0.01  0.01  1.0
  Sb  Sb3  1  0.0  0.37  0.37  1.0

Mn Tc Tc Sb
Mn Tc Tc Sb 0 2 o o o 0 3 o o o 1 3 + o o 2 3 o o o 