data_MnReTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   145.57
_cell_angle_beta   129.17
_cell_angle_gamma   62.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReTc2
_chemical_formula_sum   'Mn1 Re1 Tc2'
_cell_volume   56.01
_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  0.45  1.0
  Re  Re1  1  0.0  0.17  0.03  1.0
  Tc  Tc2  1  0.0  0.0  0.53  1.0
  Tc  Tc3  1  0.5  0.0  0.25  1.0

data_MnReTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.34
_cell_length_c   5.06
_cell_angle_alpha   115.41
_cell_angle_beta   107.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReTc2
_chemical_formula_sum   'Mn1 Re1 Tc2'
_cell_volume   56.01
_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  0.45  0.45  1.0
  Tc  Tc1  1  0.0  0.25  0.75  1.0
  Tc  Tc2  1  0.0  0.53  0.53  1.0
  Re  Re3  1  0.83  0.86  0.86  1.0

Mn Re Tc Tc