data_Y2FeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   147.63
_cell_angle_beta   140.03
_cell_angle_gamma   52.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeSe
_chemical_formula_sum   'Y2 Fe1 Se1'
_cell_volume   85.31
_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
  Y  Y2  1  0.0  0.0  0.08  1.0
  Y  Y3  1  0.75  0.0  0.11  1.0
  Fe  Fe0  1  0.0  0.0  1.0  1.0
  Se  Se1  1  0.0  0.15  0.12  1.0

data_Y2FeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.3
_cell_length_c   6.29
_cell_angle_alpha   109.98
_cell_angle_beta   106.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeSe
_chemical_formula_sum   'Y2 Fe1 Se1'
_cell_volume   85.31
_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
  Y  Y0  1  0.65  0.89  0.65  1.0
  Y  Y1  1  0.92  0.92  0.92  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.88  0.03  0.03  1.0

Y Y Fe Se