# generated using pymatgen
data_Pr12Si3AsBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43607153
_cell_length_b   10.46663769
_cell_length_c   10.46663798
_cell_angle_alpha   109.53030440
_cell_angle_beta   109.41207778
_cell_angle_gamma   109.41207045
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Si3AsBr12
_chemical_formula_sum   'Pr12 Si3 As1 Br12'
_cell_volume   880.73657376
_cell_formula_units_Z   1
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
  Pr  Pr0  1  0.47898178  0.48673770  0.24182410  1.0
  Pr  Pr1  1  0.75000000  0.23968102  0.26031898  1.0
  Pr  Pr2  1  0.75000000  0.01069972  0.48930028  1.0
  Pr  Pr3  1  0.23930028  0.47859955  0.48930028  1.0
  Pr  Pr4  1  0.26284032  0.75508540  0.24182410  1.0
  Pr  Pr5  1  0.02101822  0.25817590  0.01326230  1.0
  Pr  Pr6  1  0.01031898  0.02063995  0.26031898  1.0
  Pr  Pr7  1  0.49224508  0.75508540  0.01326230  1.0
  Pr  Pr8  1  0.48968102  0.23968102  0.47936005  1.0
  Pr  Pr9  1  0.00775492  0.48673770  0.74491460  1.0
  Pr  Pr10  1  0.26069972  0.01069972  0.02140045  1.0
  Pr  Pr11  1  0.23715968  0.25817590  0.74491460  1.0
  Si  Si12  1  0.25000000  0.24972710  0.25027290  1.0
  Si  Si13  1  0.50027290  0.00054581  0.25027290  1.0
  Si  Si14  1  0.99972710  0.24972710  0.49945419  1.0
  As  As15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75467102  0.74532898  1.0
  Br  Br17  1  0.51039581  0.50563876  0.75651526  1.0
  Br  Br18  1  0.98960419  0.74348474  0.99436124  1.0
  Br  Br19  1  0.74611845  0.25087650  0.75651526  1.0
  Br  Br20  1  0.99532898  0.99065896  0.74532898  1.0
  Br  Br21  1  0.25000000  0.99386772  0.50613228  1.0
  Br  Br22  1  0.75613228  0.51226356  0.50613228  1.0
  Br  Br23  1  0.50475805  0.25087650  0.99436124  1.0
  Br  Br24  1  0.75388155  0.74348474  0.24912350  1.0
  Br  Br25  1  0.74386772  0.99386772  0.98773644  1.0
  Br  Br26  1  0.99524195  0.50563876  0.24912350  1.0
  Br  Br27  1  0.50467102  0.75467102  0.50934104  1.0