# generated using pymatgen
data_TmAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78984500
_cell_length_b   3.80088100
_cell_length_c   8.41531700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmAsS
_chemical_formula_sum   'Tm2 As2 S2'
_cell_volume   121.22053632
_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  0.25000000  0.25000000  0.70838800  1.0
  Tm  Tm1  1  0.75000000  0.75000000  0.29161200  1.0
  As  As2  1  0.75000000  0.25000000  0.00285200  1.0
  As  As3  1  0.25000000  0.75000000  0.99714800  1.0
  S  S4  1  0.25000000  0.25000000  0.37482200  1.0
  S  S5  1  0.75000000  0.75000000  0.62517800  1.0