data_MnTc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84
_cell_length_b   8.84
_cell_length_c   8.84
_cell_angle_alpha   19.4
_cell_angle_beta   19.4
_cell_angle_gamma   19.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2Bi
_chemical_formula_sum   'Mn1 Tc2 Bi1'
_cell_volume   66.61
_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  Mn1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.81  1.0
  Tc  Tc3  1  0.0  0.0  0.2  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_MnTc2Bi
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   8.84
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   MnTc2Bi
_chemical_formula_sum   'Mn2 Tc4 Bi2'
_cell_volume   133.22
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  4  0.0  0.0  0.19  1.0
  Bi  Bi2  2  0.0  0.0  0.0  1.0

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