# generated using pymatgen
data_Ca3Ac(SnIr2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84392957
_cell_length_b   5.89350526
_cell_length_c   8.06607181
_cell_angle_alpha   101.37190024
_cell_angle_beta   101.53817358
_cell_angle_gamma   59.66487381
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Ac(SnIr2)2
_chemical_formula_sum   'Ca3 Ac1 Sn2 Ir4'
_cell_volume   233.40103383
_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  0.50095007  0.20886941  0.36449671  1.0
  Ca  Ca1  1  0.50332197  0.79093939  0.64562835  1.0
  Ca  Ca2  1  0.20772557  0.49674227  0.84507234  1.0
  Ac  Ac3  1  0.78437530  0.50493292  0.14288918  1.0
  Sn  Sn4  1  0.11925594  0.88287907  0.25437921  1.0
  Sn  Sn5  1  0.88710140  0.10524280  0.74464087  1.0
  Ir  Ir6  1  0.28833297  0.00265077  0.00711237  1.0
  Ir  Ir7  1  0.01052457  0.70056841  0.49343164  1.0
  Ir  Ir8  1  0.99275674  0.29029251  0.50665469  1.0
  Ir  Ir9  1  0.70565447  0.01688245  0.99569162  1.0