data_Na2YSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YSe
_chemical_formula_sum   'Na2 Y1 Se1'
_cell_volume   124.69
_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
  Na  Na0  1  0.0  0.0  0.14  1.0
  Na  Na1  1  0.54  0.0  0.65  1.0
  Y  Y3  1  0.54  0.0  0.09  1.0
  Se  Se2  1  0.0  0.0  0.43  1.0

data_Na2YSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2YSe
_chemical_formula_sum   'Na2 Y1 Se1'
_cell_volume   124.7
_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
  Na  Na0  1  0.0  0.0  0.14  1.0
  Na  Na1  1  0.54  0.0  0.65  1.0
  Y  Y2  1  0.54  0.0  0.09  1.0
  Se  Se3  1  0.0  0.0  0.43  1.0

Na Na Y Se
Na Na Y Se 0 2 - o o 0 2 o o o 0 3 o o o 1 3 o o o 1 3 + o o 