# generated using pymatgen
data_Ca8YbTmIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46466795
_cell_length_b   7.48700862
_cell_length_c   8.53215547
_cell_angle_alpha   97.38735457
_cell_angle_beta   112.26194413
_cell_angle_gamma   90.00000136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8YbTmIr4
_chemical_formula_sum   'Ca8 Yb1 Tm1 Ir4'
_cell_volume   378.47681843
_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  0.96683439  0.92035479  0.17118948  1.0
  Ca  Ca1  1  0.79564391  0.57964521  0.82881052  1.0
  Ca  Ca2  1  0.02741285  0.08027237  0.82646908  1.0
  Ca  Ca3  1  0.20094476  0.41972763  0.17353092  1.0
  Ca  Ca4  1  0.63647010  0.82236585  0.43324883  1.0
  Ca  Ca5  1  0.20322227  0.67763415  0.56675117  1.0
  Ca  Ca6  1  0.36268258  0.17791723  0.56364453  1.0
  Ca  Ca7  1  0.79903805  0.32208277  0.43635547  1.0
  Yb  Yb8  1  0.43000550  0.75000000  0.00000000  1.0
  Tm  Tm9  1  0.56465229  0.25000000  1.00000000  1.0
  Ir  Ir10  1  0.80951856  0.57025004  0.20896859  1.0
  Ir  Ir11  1  0.60054797  0.92974996  0.79103141  1.0
  Ir  Ir12  1  0.19632659  0.41757739  0.78962543  1.0
  Ir  Ir13  1  0.40670016  0.08242261  0.21037457  1.0