data_Y2NiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.16
_cell_angle_alpha   90.88
_cell_angle_beta   90.88
_cell_angle_gamma   39.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NiSe
_chemical_formula_sum   'Y2 Ni1 Se1'
_cell_volume   87.66
_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
  Y  Y2  1  0.74  0.0  0.54  1.0
  Y  Y3  1  0.91  0.0  0.58  1.0
  Ni  Ni0  1  0.7  0.0  0.66  1.0
  Se  Se1  1  0.71  0.0  0.47  1.0

data_Y2NiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.16
_cell_length_c   5.77
_cell_angle_alpha   90.88
_cell_angle_beta   109.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NiSe
_chemical_formula_sum   'Y2 Ni1 Se1'
_cell_volume   87.66
_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
  Y  Y0  1  0.0  0.54  0.74  1.0
  Y  Y1  1  0.0  0.58  0.91  1.0
  Ni  Ni2  1  0.0  0.66  0.7  1.0
  Se  Se3  1  0.0  0.47  0.71  1.0

Y Y Ni Se