# generated using pymatgen
data_Ca(La2Se3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10352600
_cell_length_b   9.10352622
_cell_length_c   15.05580569
_cell_angle_alpha   107.54148426
_cell_angle_beta   107.54148694
_cell_angle_gamma   89.98746904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(La2Se3)4
_chemical_formula_sum   'Ca2 La16 Se24'
_cell_volume   1128.74425359
_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
  Ca  Ca0  1  0.45071900  0.57995400  0.16636700  1.0
  Ca  Ca1  1  0.57995400  0.45071900  0.66636700  1.0
  La  La2  1  0.74464000  0.37759600  0.00139700  1.0
  La  La3  1  0.03927300  0.78997000  0.08326300  1.0
  La  La4  1  0.41321600  0.04437600  0.33427100  1.0
  La  La5  1  0.11919000  0.37741200  0.25116900  1.0
  La  La6  1  0.70412500  0.08380900  0.16610600  1.0
  La  La7  1  0.91035200  0.79310500  0.33366200  1.0
  La  La8  1  0.70129200  0.46050200  0.41546600  1.0
  La  La9  1  0.12268700  0.25111100  0.50007000  1.0
  La  La10  1  0.08380900  0.70412500  0.66610600  1.0
  La  La11  1  0.78997000  0.03927300  0.58326300  1.0
  La  La12  1  0.37759600  0.74464000  0.50139700  1.0
  La  La13  1  0.36944700  0.12673300  0.74836600  1.0
  La  La14  1  0.79310500  0.91035200  0.83366200  1.0
  La  La15  1  0.45387100  0.70835400  0.91887800  1.0
  La  La16  1  0.25111100  0.12268700  0.00007000  1.0
  La  La17  1  0.04437600  0.41321600  0.83427100  1.0
  Se  Se18  1  0.94864500  0.10030700  0.05121700  1.0
  Se  Se19  1  0.73259000  0.73490000  0.11848500  1.0
  Se  Se20  1  0.09196700  0.44879000  0.05060900  1.0
  Se  Se21  1  0.21040500  0.71867200  0.28472700  1.0
  Se  Se22  1  0.06224300  0.06695500  0.28241200  1.0
  Se  Se23  1  0.38138300  0.88056300  0.11847300  1.0
  Se  Se24  1  0.77654900  0.43251800  0.21676600  1.0
  Se  Se25  1  0.60803900  0.76652900  0.38152100  1.0
  Se  Se26  1  0.42698100  0.28462400  0.21744300  1.0
  Se  Se27  1  0.39606200  0.40032900  0.45256200  1.0
  Se  Se28  1  0.76223100  0.11952400  0.38383400  1.0
  Se  Se29  1  0.88056300  0.38138300  0.61847300  1.0
  Se  Se30  1  0.73490000  0.73259000  0.61848500  1.0
  Se  Se31  1  0.04333700  0.55048000  0.44936500  1.0
  Se  Se32  1  0.44879000  0.09196700  0.55060900  1.0
  Se  Se33  1  0.28462400  0.42698100  0.71744300  1.0
  Se  Se34  1  0.10030700  0.94864500  0.55121700  1.0
  Se  Se35  1  0.06695500  0.06224300  0.78241200  1.0
  Se  Se36  1  0.43251800  0.77654900  0.71676600  1.0
  Se  Se37  1  0.55048000  0.04333700  0.94936500  1.0
  Se  Se38  1  0.40032900  0.39606200  0.95256200  1.0
  Se  Se39  1  0.71867200  0.21040500  0.78472700  1.0
  Se  Se40  1  0.11952400  0.76223100  0.88383400  1.0
  Se  Se41  1  0.76652900  0.60803900  0.88152100  1.0