# generated using pymatgen
data_Ca(Pr2Se3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01322339
_cell_length_b   9.01322339
_cell_length_c   14.91795620
_cell_angle_alpha   72.45496723
_cell_angle_beta   72.45496723
_cell_angle_gamma   90.03955580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(Pr2Se3)4
_chemical_formula_sum   'Ca2 Pr16 Se24'
_cell_volume   1096.17279331
_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  0.58318100  0.20839500  0.83327300  1.0
  Ca  Ca1  1  0.20839500  0.58318100  0.33327300  1.0
  Pr  Pr2  1  0.62313000  0.75199100  0.00010200  1.0
  Pr  Pr3  1  0.87666100  0.25067500  0.99901500  1.0
  Pr  Pr4  1  0.29248900  0.54030200  0.91699000  1.0
  Pr  Pr5  1  0.87518700  0.62235100  0.75011900  1.0
  Pr  Pr6  1  0.28889800  0.41643100  0.66678700  1.0
  Pr  Pr7  1  0.54130300  0.91827900  0.66743300  1.0
  Pr  Pr8  1  0.08325100  0.96105000  0.83329400  1.0
  Pr  Pr9  1  0.95753900  0.20854800  0.58341700  1.0
  Pr  Pr10  1  0.25067500  0.87666100  0.49901500  1.0
  Pr  Pr11  1  0.96105000  0.08325100  0.33329400  1.0
  Pr  Pr12  1  0.54030200  0.29248900  0.41699000  1.0
  Pr  Pr13  1  0.75199100  0.62313000  0.50010200  1.0
  Pr  Pr14  1  0.62235100  0.87518700  0.25011900  1.0
  Pr  Pr15  1  0.91827900  0.54130300  0.16743300  1.0
  Pr  Pr16  1  0.20854800  0.95753900  0.08341700  1.0
  Pr  Pr17  1  0.41643100  0.28889800  0.16678700  1.0
  Se  Se18  1  0.38221500  0.88022100  0.88308100  1.0
  Se  Se19  1  0.59960300  0.45296600  0.95108500  1.0
  Se  Se20  1  0.56707800  0.57073200  0.71522900  1.0
  Se  Se21  1  0.95066500  0.59971600  0.95029600  1.0
  Se  Se22  1  0.21578400  0.71650200  0.71667200  1.0
  Se  Se23  1  0.23627800  0.23154400  0.88295500  1.0
  Se  Se24  1  0.78529300  0.92988700  0.78312400  1.0
  Se  Se25  1  0.93047500  0.28111000  0.78401400  1.0
  Se  Se26  1  0.05237100  0.55002600  0.54926700  1.0
  Se  Se27  1  0.26707800  0.11623900  0.61610700  1.0
  Se  Se28  1  0.61650300  0.26719500  0.61816200  1.0
  Se  Se29  1  0.23154400  0.23627800  0.38295500  1.0
  Se  Se30  1  0.88022100  0.38221500  0.38308100  1.0
  Se  Se31  1  0.90034000  0.90051600  0.54957700  1.0
  Se  Se32  1  0.45296600  0.59960300  0.45108500  1.0
  Se  Se33  1  0.59971600  0.95066500  0.45029600  1.0
  Se  Se34  1  0.71650200  0.21578400  0.21667200  1.0
  Se  Se35  1  0.92988700  0.78529300  0.28312400  1.0
  Se  Se36  1  0.90051600  0.90034000  0.04957700  1.0
  Se  Se37  1  0.28111000  0.93047500  0.28401400  1.0
  Se  Se38  1  0.55002600  0.05237100  0.04926700  1.0
  Se  Se39  1  0.57073200  0.56707800  0.21522900  1.0
  Se  Se40  1  0.11623900  0.26707800  0.11610700  1.0
  Se  Se41  1  0.26719500  0.61650300  0.11816200  1.0