data_ReNiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiSe
_chemical_formula_sum   'Re1 Ni1 Se1'
_cell_volume   44.31
_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  0.07  0.19  0.46  1.0
  Ni  Ni0  1  0.0  0.0  0.97  1.0
  Se  Se2  1  0.0  0.39  0.56  1.0

data_ReNiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.13
_cell_length_c   4.13
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiSe
_chemical_formula_sum   'Re1 Ni1 Se1'
_cell_volume   44.31
_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  0.46  0.07  0.19  1.0
  Ni  Ni1  1  0.97  0.0  0.0  1.0
  Se  Se2  1  0.56  -0.0  0.39  1.0

Re Ni Se
Re Ni Se 0 2 o o o 0 1 o o o 0 1 o o - 