data_SrNiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.56
_cell_angle_alpha   91.47
_cell_angle_beta   91.47
_cell_angle_gamma   91.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiSe2
_chemical_formula_sum   'Sr1 Ni1 Se2'
_cell_volume   87.09
_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
  Sr  Sr3  1  0.46  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.67  0.77  0.78  1.0
  Se  Se2  1  0.67  0.23  0.78  1.0

data_SrNiSe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.56
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   91.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrNiSe2
_chemical_formula_sum   'Sr1 Ni1 Se2'
_cell_volume   87.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sr  Sr0  1  -0.0  0.0  0.46  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Se  Se2  2  0.78  0.23  0.67  1.0

Sr Ni Se Se
Sr Ni Se Se 0 2 o - - 0 3 o o - 0 1 o o o 1 2 - - - 1 3 - o - 