# generated using pymatgen
data_TmMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60612093
_cell_length_b   6.60612604
_cell_length_c   5.14033421
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmMg3
_chemical_formula_sum   'Tm2 Mg6'
_cell_volume   194.27427947
_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  0.66666700  0.33333200  0.25000000  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.75000100  1.0
  Mg  Mg2  1  0.16348518  0.32696835  0.25000000  1.0
  Mg  Mg3  1  0.16348518  0.83651582  0.25000000  1.0
  Mg  Mg4  1  0.67303165  0.83651582  0.25000000  1.0
  Mg  Mg5  1  0.32696935  0.16348518  0.75000100  1.0
  Mg  Mg6  1  0.83651382  0.16348518  0.75000100  1.0
  Mg  Mg7  1  0.83651582  0.67303265  0.75000100  1.0