# generated using pymatgen
data_Ca4TmIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56888232
_cell_length_b   7.36553375
_cell_length_c   8.60428854
_cell_angle_alpha   97.54779635
_cell_angle_beta   112.44034744
_cell_angle_gamma   89.99999580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4TmIr2
_chemical_formula_sum   'Ca8 Tm2 Ir4'
_cell_volume   380.87504715
_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  0.97535846  0.92081325  0.17233007  1.0
  Ca  Ca1  1  0.80302939  0.57918675  0.82766993  1.0
  Ca  Ca2  1  0.02464154  0.07918675  0.82766993  1.0
  Ca  Ca3  1  0.19697061  0.42081325  0.17233007  1.0
  Ca  Ca4  1  0.63527134  0.81912384  0.43329144  1.0
  Ca  Ca5  1  0.20197990  0.68087616  0.56670856  1.0
  Ca  Ca6  1  0.36472866  0.18087616  0.56670856  1.0
  Ca  Ca7  1  0.79802010  0.31912384  0.43329144  1.0
  Tm  Tm8  1  0.44023797  0.75000000  0.00000000  1.0
  Tm  Tm9  1  0.55976203  0.25000000  1.00000000  1.0
  Ir  Ir10  1  0.80233128  0.57369321  0.20527667  1.0
  Ir  Ir11  1  0.59705561  0.92630679  0.79472333  1.0
  Ir  Ir12  1  0.19766872  0.42630679  0.79472333  1.0
  Ir  Ir13  1  0.40294439  0.07369321  0.20527667  1.0