[CIF]
data_Zr2ScSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45810840
_cell_length_b   4.92282198
_cell_length_c   5.51116008
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.23133244
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ScSe
_chemical_formula_sum   'Zr2 Sc1 Se1'
_cell_volume   89.11040789
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1
  Se  Se1  1  -0.86209525  0.00000000  2.61725297  1
  Zr  Zr2  1  -0.01050340  2.46141099  3.86223090  1
  Zr  Zr3  1  1.74442130  2.46141099  1.37227504  1
[/CIF]
