# generated using pymatgen
data_TbMgS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71402500
_cell_length_b   6.71402507
_cell_length_c   18.05552700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbMgS3
_chemical_formula_sum   'Tb6 Mg6 S18'
_cell_volume   704.86621193
_cell_formula_units_Z   6
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
  Tb  Tb0  1  0.00000000  0.00000000  0.34665400  1.0
  Tb  Tb1  1  0.00000000  0.00000000  0.65334700  1.0
  Tb  Tb2  1  0.66666700  0.33333300  0.67998700  1.0
  Tb  Tb3  1  0.66666700  0.33333300  0.98668000  1.0
  Tb  Tb4  1  0.33333300  0.66666700  0.01332100  1.0
  Tb  Tb5  1  0.33333300  0.66666700  0.32001400  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.15360400  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.84639600  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.48693700  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17972900  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82027100  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.51306300  1.0
  S  S12  1  0.98270300  0.34429300  0.57983700  1.0
  S  S13  1  0.01729700  0.65570700  0.42016300  1.0
  S  S14  1  0.65570700  0.63841000  0.57983700  1.0
  S  S15  1  0.34429300  0.36159000  0.42016300  1.0
  S  S16  1  0.36159000  0.01729700  0.57983700  1.0
  S  S17  1  0.63841000  0.98270300  0.42016300  1.0
  S  S18  1  0.64937000  0.67762600  0.91317000  1.0
  S  S19  1  0.68396400  0.98904000  0.75349600  1.0
  S  S20  1  0.32237400  0.97174300  0.91317000  1.0
  S  S21  1  0.01096000  0.69492300  0.75349600  1.0
  S  S22  1  0.02825700  0.35063000  0.91317000  1.0
  S  S23  1  0.30507700  0.31603600  0.75349600  1.0
  S  S24  1  0.31603600  0.01096000  0.24650400  1.0
  S  S25  1  0.35063000  0.32237400  0.08683000  1.0
  S  S26  1  0.98904000  0.30507700  0.24650400  1.0
  S  S27  1  0.67762600  0.02825700  0.08683000  1.0
  S  S28  1  0.69492300  0.68396400  0.24650400  1.0
  S  S29  1  0.97174300  0.64937000  0.08683000  1.0