# generated using pymatgen
data_TmSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77135322
_cell_length_b   4.19792759
_cell_length_c   5.58772148
_cell_angle_alpha   112.06377549
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmSi
_chemical_formula_sum   'Tm2 Si2'
_cell_volume   81.98551712
_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  0.75000000  0.14060898  0.28121895  1.0
  Tm  Tm1  1  0.25000000  0.85939102  0.71878105  1.0
  Si  Si2  1  0.75000000  0.42251625  0.84503349  1.0
  Si  Si3  1  0.25000000  0.57748375  0.15496651  1.0