data_Re2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.63
_cell_angle_alpha   105.21
_cell_angle_beta   105.21
_cell_angle_gamma   35.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoSe
_chemical_formula_sum   'Re2 Mo1 Se1'
_cell_volume   62.78
_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
  Re  Re1  1  0.03  0.0  0.1  1.0
  Re  Re2  1  0.34  0.0  0.57  1.0
  Mo  Mo0  1  0.65  0.0  0.36  1.0
  Se  Se3  1  0.09  0.0  0.08  1.0

data_Re2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.63
_cell_length_c   4.9
_cell_angle_alpha   105.21
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoSe
_chemical_formula_sum   'Re2 Mo1 Se1'
_cell_volume   62.78
_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
  Re  Re0  1  0.0  0.1  0.03  1.0
  Re  Re1  1  0.0  0.57  0.34  1.0
  Mo  Mo2  1  0.0  0.36  0.65  1.0
  Se  Se3  1  0.0  0.08  0.09  1.0

Re Re Mo Se
Re Re Mo Se 0 3 o o o 0 1 o o o 0 2 - o o 1 3 o o o 1 2 o o o 