# generated using pymatgen
data_TmAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52111400
_cell_length_b   5.92192500
_cell_length_c   11.48102400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAlB4
_chemical_formula_sum   'Tm4 Al4 B16'
_cell_volume   239.39970654
_cell_formula_units_Z   4
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  0.00000000  0.62966100  0.34988800  1.0
  Tm  Tm1  1  0.00000000  0.37033900  0.65011200  1.0
  Tm  Tm2  1  0.00000000  0.12966100  0.15011200  1.0
  Tm  Tm3  1  0.00000000  0.87033900  0.84988800  1.0
  Al  Al4  1  0.00000000  0.63809600  0.09020400  1.0
  Al  Al5  1  0.00000000  0.36190400  0.90979600  1.0
  Al  Al6  1  0.00000000  0.13809600  0.40979600  1.0
  Al  Al7  1  0.00000000  0.86190400  0.59020400  1.0
  B  B8  1  0.50000000  0.79037500  0.18760100  1.0
  B  B9  1  0.50000000  0.20962500  0.81239900  1.0
  B  B10  1  0.50000000  0.29037500  0.31239900  1.0
  B  B11  1  0.50000000  0.70962500  0.68760100  1.0
  B  B12  1  0.50000000  0.86688200  0.03075500  1.0
  B  B13  1  0.50000000  0.13311800  0.96924500  1.0
  B  B14  1  0.50000000  0.36688200  0.46924500  1.0
  B  B15  1  0.50000000  0.63311800  0.53075500  1.0
  B  B16  1  0.50000000  0.88564400  0.45301000  1.0
  B  B17  1  0.50000000  0.11435600  0.54699000  1.0
  B  B18  1  0.50000000  0.38564400  0.04699000  1.0
  B  B19  1  0.50000000  0.61435600  0.95301000  1.0
  B  B20  1  0.50000000  0.97373900  0.30711200  1.0
  B  B21  1  0.50000000  0.02626100  0.69288800  1.0
  B  B22  1  0.50000000  0.47373900  0.19288800  1.0
  B  B23  1  0.50000000  0.52626100  0.80711200  1.0