# generated using pymatgen
data_CrGaSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76641143
_cell_length_b   10.26003063
_cell_length_c   12.49218408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaSe3
_chemical_formula_sum   'Cr4 Ga4 Se12'
_cell_volume   482.74167348
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.25000000  0.40383641  0.61046166  1.0
  Cr  Cr1  1  0.75000000  0.59616359  0.38953834  1.0
  Cr  Cr2  1  0.25000000  0.90383641  0.88953834  1.0
  Cr  Cr3  1  0.75000000  0.09616359  0.11046166  1.0
  Ga  Ga4  1  0.75000000  0.26675881  0.79405342  1.0
  Ga  Ga5  1  0.25000000  0.73324119  0.20594658  1.0
  Ga  Ga6  1  0.75000000  0.76675881  0.70594658  1.0
  Ga  Ga7  1  0.25000000  0.23324119  0.29405342  1.0
  Se  Se8  1  0.25000000  0.92672059  0.09521555  1.0
  Se  Se9  1  0.75000000  0.07327941  0.90478445  1.0
  Se  Se10  1  0.25000000  0.42672059  0.40478445  1.0
  Se  Se11  1  0.75000000  0.57327941  0.59521555  1.0
  Se  Se12  1  0.75000000  0.08964872  0.31875217  1.0
  Se  Se13  1  0.25000000  0.91035128  0.68124783  1.0
  Se  Se14  1  0.75000000  0.58964872  0.18124783  1.0
  Se  Se15  1  0.25000000  0.41035128  0.81875217  1.0
  Se  Se16  1  0.25000000  0.26474656  0.10499726  1.0
  Se  Se17  1  0.75000000  0.73525344  0.89500274  1.0
  Se  Se18  1  0.25000000  0.76474656  0.39500274  1.0
  Se  Se19  1  0.75000000  0.23525344  0.60499726  1.0