# generated using pymatgen
data_Tm3Mn(Al4Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61042015
_cell_length_b   8.61042098
_cell_length_c   9.15222292
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000060
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Mn(Al4Ni)3
_chemical_formula_sum   'Tm6 Mn2 Al24 Ni6'
_cell_volume   587.63269058
_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  0.19335065  0.38669931  0.25000000  1.0
  Tm  Tm1  1  0.80664935  0.61330069  0.75000000  1.0
  Tm  Tm2  1  0.61330069  0.80664935  0.25000000  1.0
  Tm  Tm3  1  0.38669931  0.19335065  0.75000000  1.0
  Tm  Tm4  1  0.19335065  0.80664935  0.25000000  1.0
  Tm  Tm5  1  0.80664935  0.19335065  0.75000000  1.0
  Mn  Mn6  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn7  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al8  1  0.33333300  0.66666700  0.02037704  1.0
  Al  Al9  1  0.66666700  0.33333300  0.97962296  1.0
  Al  Al10  1  0.66666700  0.33333300  0.52037704  1.0
  Al  Al11  1  0.33333300  0.66666700  0.47962296  1.0
  Al  Al12  1  0.16017006  0.32034113  0.57701373  1.0
  Al  Al13  1  0.83982994  0.67965887  0.42298627  1.0
  Al  Al14  1  0.67965887  0.83982994  0.57701373  1.0
  Al  Al15  1  0.83982994  0.67965887  0.07701373  1.0
  Al  Al16  1  0.32034113  0.16017006  0.42298627  1.0
  Al  Al17  1  0.16017006  0.32034113  0.92298627  1.0
  Al  Al18  1  0.16017006  0.83982994  0.57701373  1.0
  Al  Al19  1  0.32034113  0.16017006  0.07701373  1.0
  Al  Al20  1  0.83982994  0.16017006  0.42298627  1.0
  Al  Al21  1  0.67965887  0.83982994  0.92298627  1.0
  Al  Al22  1  0.83982994  0.16017006  0.07701373  1.0
  Al  Al23  1  0.16017006  0.83982994  0.92298627  1.0
  Al  Al24  1  0.56045611  0.12091221  0.25000000  1.0
  Al  Al25  1  0.43954389  0.87908779  0.75000000  1.0
  Al  Al26  1  0.87908779  0.43954389  0.25000000  1.0
  Al  Al27  1  0.12091221  0.56045611  0.75000000  1.0
  Al  Al28  1  0.56045611  0.43954389  0.25000000  1.0
  Al  Al29  1  0.43954389  0.56045611  0.75000000  1.0
  Al  Al30  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al31  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni32  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni33  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni34  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni35  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni36  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni37  1  0.50000000  0.50000000  0.50000000  1.0