data_MnTcBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   123.91
_cell_angle_beta   119.94
_cell_angle_gamma   86.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcBi2
_chemical_formula_sum   'Mn1 Tc1 Bi2'
_cell_volume   82.6
_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  Mn2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.59  1.0
  Bi  Bi0  1  0.32  0.0  0.79  1.0
  Bi  Bi1  1  0.0  0.47  0.8  1.0

data_MnTcBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   60.06
_cell_angle_beta   61.95
_cell_angle_gamma   61.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTcBi2
_chemical_formula_sum   'Mn1 Tc1 Bi2'
_cell_volume   82.6
_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  0.59  0.0  0.41  1.0
  Bi  Bi2  1  0.46  0.32  0.21  1.0
  Bi  Bi3  1  0.8  -0.0  0.67  1.0

Mn Tc Bi Bi
Mn Tc Bi Bi 0 3 o - - 0 2 o o - 0 1 o o - 1 2 o o o 1 3 o o o 