data_MnTc5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc5
_chemical_formula_sum   'Mn1 Tc5'
_cell_volume   98.44
_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  0.25  0.17  0.26  1.0
  Tc  Tc2  1  0.51  0.45  0.0  1.0
  Tc  Tc3  1  0.75  0.17  0.26  1.0
  Tc  Tc4  1  0.51  0.0  0.26  1.0
  Tc  Tc5  1  0.0  0.9  0.0  1.0

data_MnTc5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc5
_chemical_formula_sum   'Mn1 Tc5'
_cell_volume   98.44
_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  0.51  0.45  1.0
  Tc  Tc2  1  0.0  0.0  0.9  1.0
  Tc  Tc3  1  0.26  0.25  0.17  1.0
  Tc  Tc4  1  0.26  0.51  0.0  1.0
  Tc  Tc5  1  0.26  0.75  0.17  1.0

Mn Tc Tc Tc Tc Tc
Mn Tc Tc Tc Tc Tc 0 5 o - o 0 1 o o o 1 5 o - o 1 4 o o o 1 2 o o o 3 4 o o o 