[CIF]
data_NaZrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74694442
_cell_length_b   5.74694442
_cell_length_c   5.74694442
_cell_angle_alpha   141.15673984
_cell_angle_beta   102.88890821
_cell_angle_gamma   89.88964561
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrSe2
_chemical_formula_sum   'Na1 Zr1 Se2'
_cell_volume   111.36949975
_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  0.00000000  0.00000000  0.00000000  1
  Se  Se1  1  0.00000000  3.58191558  1.83837036  1
  Se  Se2  1  1.91095781  -0.00000000  2.22924457  1
  Zr  Zr3  1  -0.00000000  -0.00000000  4.06761493  1
[/CIF]
