data_Mo5Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5Se
_chemical_formula_sum   'Mo5 Se1'
_cell_volume   94.76
_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
  Mo  Mo0  1  0.22  0.83  0.22  1.0
  Mo  Mo1  1  0.22  0.43  0.0  1.0
  Mo  Mo2  1  0.22  0.0  0.22  1.0
  Mo  Mo3  1  0.22  0.57  0.0  1.0
  Mo  Mo4  1  0.22  0.17  0.22  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

data_Mo5Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.29
_cell_angle_alpha   114.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5Se
_chemical_formula_sum   'Mo5 Se1'
_cell_volume   94.76
_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
  Mo  Mo0  1  -0.0  0.43  0.65  1.0
  Mo  Mo1  1  -0.0  0.57  0.79  1.0
  Mo  Mo2  1  0.22  0.0  0.22  1.0
  Mo  Mo3  1  0.22  0.17  0.39  1.0
  Mo  Mo4  1  0.22  0.83  0.05  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

Mo Mo Mo Mo Mo Se