# generated using pymatgen
data_TmZr(Al3Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46221239
_cell_length_b   7.45353072
_cell_length_c   9.27664585
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.70729527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmZr(Al3Ir)3
_chemical_formula_sum   'Tm2 Zr2 Al18 Ir6'
_cell_volume   448.15130394
_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
  Tm  Tm0  1  0.67081048  0.99354277  0.25000000  1.0
  Tm  Tm1  1  0.32918952  0.00645723  0.75000000  1.0
  Zr  Zr2  1  0.99378721  0.67178431  0.25000000  1.0
  Zr  Zr3  1  0.00621279  0.32821569  0.75000000  1.0
  Al  Al4  1  0.12802028  0.12614082  0.25000000  1.0
  Al  Al5  1  0.87197972  0.87385918  0.75000000  1.0
  Al  Al6  1  0.99991592  0.33650844  0.07350208  1.0
  Al  Al7  1  0.00008408  0.66349156  0.92649792  1.0
  Al  Al8  1  0.00008408  0.66349156  0.57350208  1.0
  Al  Al9  1  0.33318373  0.99923261  0.42405005  1.0
  Al  Al10  1  0.99991592  0.33650844  0.42649792  1.0
  Al  Al11  1  0.66681627  0.00076739  0.57594995  1.0
  Al  Al12  1  0.66681627  0.00076739  0.92405005  1.0
  Al  Al13  1  0.33318373  0.99923261  0.07594995  1.0
  Al  Al14  1  0.33203551  0.33372270  0.55501052  1.0
  Al  Al15  1  0.66796449  0.66627730  0.44498948  1.0
  Al  Al16  1  0.66796449  0.66627730  0.05501052  1.0
  Al  Al17  1  0.33203551  0.33372270  0.94498948  1.0
  Al  Al18  1  0.33445237  0.54785526  0.25000000  1.0
  Al  Al19  1  0.66554763  0.45214474  0.75000000  1.0
  Al  Al20  1  0.55330326  0.34386403  0.25000000  1.0
  Al  Al21  1  0.44669674  0.65613597  0.75000000  1.0
  Ir  Ir22  1  0.67203548  0.32727078  0.99956292  1.0
  Ir  Ir23  1  0.32796452  0.67272922  0.00043708  1.0
  Ir  Ir24  1  0.32796452  0.67272922  0.49956292  1.0
  Ir  Ir25  1  0.67203548  0.32727078  0.50043708  1.0
  Ir  Ir26  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0