# generated using pymatgen
data_TmZr3B8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18338451
_cell_length_b   3.18338344
_cell_length_c   14.44763879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmZr3B8
_chemical_formula_sum   'Tm1 Zr3 B8'
_cell_volume   126.79598740
_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
  Tm  Tm0  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr1  1  0.00000000  0.00000000  0.74488583  1.0
  Zr  Zr2  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr3  1  0.00000000  0.00000000  0.25511417  1.0
  B  B4  1  0.66666700  0.33333300  0.86757554  1.0
  B  B5  1  0.66666700  0.33333300  0.62258992  1.0
  B  B6  1  0.66666700  0.33333300  0.37741008  1.0
  B  B7  1  0.66666700  0.33333300  0.13242446  1.0
  B  B8  1  0.33333300  0.66666700  0.86757554  1.0
  B  B9  1  0.33333300  0.66666700  0.62258992  1.0
  B  B10  1  0.33333300  0.66666700  0.37741008  1.0
  B  B11  1  0.33333300  0.66666700  0.13242446  1.0