# generated using pymatgen
data_Ca3Sm5(IO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51209628
_cell_length_b   7.76494048
_cell_length_c   11.53372570
_cell_angle_alpha   76.58072560
_cell_angle_beta   90.15905771
_cell_angle_gamma   90.16362227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Sm5(IO6)4
_chemical_formula_sum   'Ca3 Sm5 I4 O24'
_cell_volume   480.17518310
_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
  Ca  Ca0  1  0.19105870  0.78823334  0.57897280  1.0
  Ca  Ca1  1  0.81039648  0.77763150  0.07727751  1.0
  Ca  Ca2  1  0.19481655  0.22467556  0.91751596  1.0
  Sm  Sm3  1  0.75154454  0.00741760  0.75369097  1.0
  Sm  Sm4  1  0.25268697  0.99514857  0.24578892  1.0
  Sm  Sm5  1  0.68668897  0.50201145  0.75108988  1.0
  Sm  Sm6  1  0.31008585  0.49941337  0.24665085  1.0
  Sm  Sm7  1  0.81410387  0.21214320  0.42710494  1.0
  I  I8  1  0.26373585  0.73511600  0.88542970  1.0
  I  I9  1  0.73945451  0.72929238  0.38213684  1.0
  I  I10  1  0.26276472  0.27454678  0.61640740  1.0
  I  I11  1  0.73830880  0.26516740  0.11552981  1.0
  O  O12  1  0.08700306  0.94362444  0.88910175  1.0
  O  O13  1  0.53760807  0.83856348  0.93470581  1.0
  O  O14  1  0.91961985  0.94099485  0.38165296  1.0
  O  O15  1  0.43492775  0.80327192  0.73514866  1.0
  O  O16  1  0.46839331  0.83756712  0.43012838  1.0
  O  O17  1  0.98730093  0.69927203  0.79042201  1.0
  O  O18  1  0.55625116  0.78769490  0.23289961  1.0
  O  O19  1  0.85032179  0.64461649  0.53616610  1.0
  O  O20  1  0.37644018  0.51052124  0.88721562  1.0
  O  O21  1  0.01125414  0.69955264  0.28297050  1.0
  O  O22  1  0.37427206  0.50353580  0.60920449  1.0
  O  O23  1  0.84615519  0.35263360  0.96280720  1.0
  O  O24  1  0.16276368  0.64922929  0.04358884  1.0
  O  O25  1  0.63181070  0.50130885  0.38392507  1.0
  O  O26  1  0.97221404  0.29476738  0.72874531  1.0
  O  O27  1  0.63099513  0.48928316  0.11786475  1.0
  O  O28  1  0.16806030  0.35322748  0.44752042  1.0
  O  O29  1  0.46771008  0.22108600  0.76972892  1.0
  O  O30  1  0.00984845  0.29369963  0.21897213  1.0
  O  O31  1  0.53066987  0.14981804  0.56907878  1.0
  O  O32  1  0.55656859  0.20088155  0.26813694  1.0
  O  O33  1  0.02934656  0.05574914  0.59901506  1.0
  O  O34  1  0.46038404  0.16262622  0.06923581  1.0
  O  O35  1  0.91443221  0.05567860  0.11417029  1.0