# generated using pymatgen
data_Ce3LuSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10090700
_cell_length_b   14.52152800
_cell_length_c   17.57191000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3LuSe6
_chemical_formula_sum   'Ce12 Lu4 Se24'
_cell_volume   1046.43247070
_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
  Ce  Ce0  1  0.00000000  0.74908600  0.60036700  1.0
  Ce  Ce1  1  0.50000000  0.24908600  0.89963300  1.0
  Ce  Ce2  1  0.50000000  0.68113800  0.84897400  1.0
  Ce  Ce3  1  0.00000000  0.18113800  0.65102600  1.0
  Ce  Ce4  1  0.00000000  0.04822000  0.21912800  1.0
  Ce  Ce5  1  0.50000000  0.54822000  0.28087200  1.0
  Ce  Ce6  1  0.00000000  0.25091400  0.39963300  1.0
  Ce  Ce7  1  0.50000000  0.75091400  0.10036700  1.0
  Ce  Ce8  1  0.00000000  0.95178000  0.78087200  1.0
  Ce  Ce9  1  0.50000000  0.31886200  0.15102600  1.0
  Ce  Ce10  1  0.50000000  0.45178000  0.71912800  1.0
  Ce  Ce11  1  0.00000000  0.81886200  0.34897400  1.0
  Lu  Lu12  1  0.50000000  0.00000000  0.50000000  1.0
  Lu  Lu13  1  0.00000000  0.50000000  0.00000000  1.0
  Lu  Lu14  1  0.50000000  0.00000000  0.00000000  1.0
  Lu  Lu15  1  0.00000000  0.50000000  0.50000000  1.0
  Se  Se16  1  0.50000000  0.59215300  0.57942000  1.0
  Se  Se17  1  0.00000000  0.02287200  0.39356100  1.0
  Se  Se18  1  0.50000000  0.81070200  0.47632900  1.0
  Se  Se19  1  0.50000000  0.52287200  0.10643900  1.0
  Se  Se20  1  0.50000000  0.87475600  0.88795600  1.0
  Se  Se21  1  0.50000000  0.89540200  0.24617300  1.0
  Se  Se22  1  0.00000000  0.68929800  0.97632900  1.0
  Se  Se23  1  0.00000000  0.39540200  0.25382700  1.0
  Se  Se24  1  0.50000000  0.12524400  0.11204400  1.0
  Se  Se25  1  0.00000000  0.68613900  0.21031200  1.0
  Se  Se26  1  0.50000000  0.10459800  0.75382700  1.0
  Se  Se27  1  0.50000000  0.40784700  0.42058000  1.0
  Se  Se28  1  0.00000000  0.31070200  0.02367100  1.0
  Se  Se29  1  0.00000000  0.62524400  0.38795600  1.0
  Se  Se30  1  0.50000000  0.18929800  0.52367100  1.0
  Se  Se31  1  0.00000000  0.09215300  0.92058000  1.0
  Se  Se32  1  0.50000000  0.18613900  0.28968800  1.0
  Se  Se33  1  0.50000000  0.47712800  0.89356100  1.0
  Se  Se34  1  0.00000000  0.60459800  0.74617300  1.0
  Se  Se35  1  0.50000000  0.81386100  0.71031200  1.0
  Se  Se36  1  0.00000000  0.97712800  0.60643900  1.0
  Se  Se37  1  0.00000000  0.31386100  0.78968800  1.0
  Se  Se38  1  0.00000000  0.37475600  0.61204400  1.0
  Se  Se39  1  0.00000000  0.90784700  0.07942000  1.0