# generated using pymatgen
data_Zr3C2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44259675
_cell_length_b   3.44259691
_cell_length_c   17.96374749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998897
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3C2Se
_chemical_formula_sum   'Zr6 C4 Se2'
_cell_volume   184.37411598
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.66666700  0.33333400  0.14013853  1.0
  Zr  Zr2  1  0.66666700  0.33333400  0.35986147  1.0
  Zr  Zr3  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr4  1  0.33333400  0.66666800  0.64013853  1.0
  Zr  Zr5  1  0.33333400  0.66666800  0.85986147  1.0
  C  C6  1  0.33333400  0.66666800  0.07762222  1.0
  C  C7  1  0.33333400  0.66666800  0.42237778  1.0
  C  C8  1  0.66666700  0.33333400  0.57762222  1.0
  C  C9  1  0.66666700  0.33333400  0.92237778  1.0
  Se  Se10  1  0.00000000  0.00000000  0.25000000  1.0
  Se  Se11  1  0.00000000  0.00000000  0.75000000  1.0