data_Tc2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.94
_cell_angle_alpha   102.07
_cell_angle_beta   102.07
_cell_angle_gamma   116.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2MoSe
_chemical_formula_sum   'Tc2 Mo1 Se1'
_cell_volume   61.79
_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
  Tc  Tc2  1  0.75  0.15  0.35  1.0
  Tc  Tc3  1  0.75  0.85  0.35  1.0
  Mo  Mo0  1  0.66  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Tc2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.96
_cell_length_c   5.06
_cell_angle_alpha   116.2
_cell_angle_beta   102.07
_cell_angle_gamma   99.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2MoSe
_chemical_formula_sum   'Tc2 Mo1 Se1'
_cell_volume   61.79
_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
  Tc  Tc0  1  0.2  0.85  0.6  1.0
  Tc  Tc1  1  0.5  0.15  0.9  1.0
  Mo  Mo2  1  0.0  0.0  0.66  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tc Tc Mo Se