# generated using pymatgen
data_MgInS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80926642
_cell_length_b   6.80926642
_cell_length_c   6.51623300
_cell_angle_alpha   75.66313301
_cell_angle_beta   75.66313301
_cell_angle_gamma   120.21195452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInS3
_chemical_formula_sum   'Mg2 In2 S6'
_cell_volume   226.58847479
_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  0.67034200  0.32965800  0.00000000  1.0
  Mg  Mg1  1  0.32965800  0.67034200  0.00000000  1.0
  In  In2  1  0.84186100  0.84186100  0.34502500  1.0
  In  In3  1  0.15813900  0.15813900  0.65497500  1.0
  S  S4  1  0.52068400  0.87327700  0.26072700  1.0
  S  S5  1  0.47931600  0.12672300  0.73927300  1.0
  S  S6  1  0.12672300  0.47931600  0.73927300  1.0
  S  S7  1  0.87327700  0.52068400  0.26072700  1.0
  S  S8  1  0.74799700  0.74799700  0.76989300  1.0
  S  S9  1  0.25200300  0.25200300  0.23010700  1.0