# generated using pymatgen
data_Mg(TaS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78877529
_cell_length_b   5.78877492
_cell_length_c   12.92587889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999644
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(TaS2)3
_chemical_formula_sum   'Mg2 Ta6 S12'
_cell_volume   375.11470079
_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
  Mg  Mg0  1  0.33333300  0.66666700  0.25000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.75000000  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta4  1  0.33333300  0.66666700  0.99830028  1.0
  Ta  Ta5  1  0.66666700  0.33333300  0.00169972  1.0
  Ta  Ta6  1  0.66666700  0.33333300  0.49830028  1.0
  Ta  Ta7  1  0.33333300  0.66666700  0.50169972  1.0
  S  S8  1  0.33250506  0.33166349  0.37949246  1.0
  S  S9  1  0.66833651  0.00084157  0.37949246  1.0
  S  S10  1  0.99915843  0.66749494  0.37949246  1.0
  S  S11  1  0.33166349  0.33250506  0.62050754  1.0
  S  S12  1  0.00084157  0.66833651  0.62050754  1.0
  S  S13  1  0.66749494  0.99915843  0.62050754  1.0
  S  S14  1  0.66749494  0.66833651  0.87949246  1.0
  S  S15  1  0.33166349  0.99915843  0.87949246  1.0
  S  S16  1  0.00084157  0.33250506  0.87949246  1.0
  S  S17  1  0.66833651  0.66749494  0.12050754  1.0
  S  S18  1  0.99915843  0.33166349  0.12050754  1.0
  S  S19  1  0.33250506  0.00084157  0.12050754  1.0