data_MnTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   151.17
_cell_angle_beta   143.89
_cell_angle_gamma   46.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcSb2
_chemical_formula_sum   'Mn1 Tc1 Sb2'
_cell_volume   72.02
_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  Tc3  1  0.0  0.96  0.63  1.0
  Sb  Sb1  1  0.0  0.96  0.32  1.0
  Sb  Sb2  1  0.0  0.0  0.49  1.0

data_MnTcSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.93
_cell_length_c   6.34
_cell_angle_alpha   108.06
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcSb2
_chemical_formula_sum   'Mn1 Tc1 Sb2'
_cell_volume   72.02
_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  1.0  1.0  1.0  1.0
  Tc  Tc1  1  0.37  0.34  0.34  1.0
  Sb  Sb2  1  0.51  0.51  0.51  1.0
  Sb  Sb3  1  0.68  0.64  0.64  1.0

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