# generated using pymatgen
data_Tm4HgC2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60256621
_cell_length_b   3.60256606
_cell_length_c   14.38748524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4HgC2Br
_chemical_formula_sum   'Tm4 Hg1 C2 Br1'
_cell_volume   161.71095460
_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  0.66666800  0.33333400  0.09322326  1.0
  Tm  Tm1  1  0.66666800  0.33333400  0.40677674  1.0
  Tm  Tm2  1  0.33333400  0.66666800  0.58669562  1.0
  Tm  Tm3  1  0.33333400  0.66666800  0.91330438  1.0
  Hg  Hg4  1  0.66666800  0.33333400  0.75000000  1.0
  C  C5  1  0.00000000  0.00000000  0.01659386  1.0
  C  C6  1  0.00000000  0.00000000  0.48340614  1.0
  Br  Br7  1  0.33333400  0.66666800  0.25000000  1.0