# generated using pymatgen
data_TmNi4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89652031
_cell_length_b   4.89652204
_cell_length_c   6.86405675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmNi4B
_chemical_formula_sum   'Tm2 Ni8 B2'
_cell_volume   142.52359329
_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  0.00000000  -0.00000000  0.50000000  1.0
  Tm  Tm1  1  0.00000000  -0.00000000  0.00000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.29099521  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.29099521  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.70900479  1.0
  Ni  Ni5  1  0.50000000  -0.00000000  0.70900479  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.70900479  1.0
  Ni  Ni7  1  0.66666700  0.33333300  0.00000000  1.0
  Ni  Ni8  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni9  1  0.50000000  -0.00000000  0.29099521  1.0
  B  B10  1  0.66666700  0.33333300  0.50000000  1.0
  B  B11  1  0.33333300  0.66666700  0.50000000  1.0