[CIF]
data_ZnIn4Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29488139
_cell_length_b   6.29488139
_cell_length_c   6.29488139
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn4Se
_chemical_formula_sum   'Zn1 In4 Se1'
_cell_volume   176.37931723
_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
  In  In0  1  5.56485897  5.56485897  3.33744767  1
  In  In1  1  5.56485897  3.33744767  5.56485897  1
  In  In2  1  3.33744767  5.56485897  5.56485897  1
  In  In3  1  3.33744767  3.33744767  3.33744767  1
  Se  Se4  1  6.67672998  6.67672998  6.67672998  1
  Zn  Zn5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
