# generated using pymatgen
data_Tm4BiC2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62227333
_cell_length_b   3.62227231
_cell_length_c   14.44563361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4BiC2Br
_chemical_formula_sum   'Tm4 Bi1 C2 Br1'
_cell_volume   164.14568160
_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  0.66666600  0.33333400  0.09623524  1.0
  Tm  Tm1  1  0.66666600  0.33333400  0.40376576  1.0
  Tm  Tm2  1  0.33333400  0.66666800  0.57721315  1.0
  Tm  Tm3  1  0.33333400  0.66666800  0.92278685  1.0
  Bi  Bi4  1  0.66666600  0.33333400  0.75000000  1.0
  C  C5  1  0.00000000  0.00000000  0.01522137  1.0
  C  C6  1  0.00000000  0.00000000  0.48477863  1.0
  Br  Br7  1  0.33333400  0.66666800  0.25000000  1.0