# generated using pymatgen
data_Mg(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54420500
_cell_length_b   6.55963629
_cell_length_c   13.10336581
_cell_angle_alpha   93.59407586
_cell_angle_beta   93.14621501
_cell_angle_gamma   93.56664750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(Mo3S4)2
_chemical_formula_sum   'Mg2 Mo12 S16'
_cell_volume   559.32592362
_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  0.10676500  0.92755300  0.98307900  1.0
  Mg  Mg1  1  0.96500200  0.10724300  0.46439700  1.0
  Mo  Mo2  1  0.59289300  0.78194700  0.22606200  1.0
  Mo  Mo3  1  0.59232500  0.77968800  0.72649800  1.0
  Mo  Mo4  1  0.45291400  0.59132400  0.39018500  1.0
  Mo  Mo5  1  0.22437300  0.54837600  0.20521000  1.0
  Mo  Mo6  1  0.45384200  0.58926700  0.88816700  1.0
  Mo  Mo7  1  0.21635900  0.54969500  0.70372900  1.0
  Mo  Mo8  1  0.77667000  0.45496500  0.29363700  1.0
  Mo  Mo9  1  0.54966000  0.40936900  0.11087800  1.0
  Mo  Mo10  1  0.78448200  0.45000800  0.79647500  1.0
  Mo  Mo11  1  0.54761500  0.40895600  0.61117800  1.0
  Mo  Mo12  1  0.40991200  0.21925100  0.27410400  1.0
  Mo  Mo13  1  0.41103200  0.22169800  0.77365000  1.0
  S  S14  1  0.27518000  0.86546700  0.31216500  1.0
  S  S15  1  0.26967500  0.86907800  0.81046000  1.0
  S  S16  1  0.38074800  0.72835100  0.06700200  1.0
  S  S17  1  0.78542600  0.78458800  0.39231700  1.0
  S  S18  1  0.38010200  0.72527400  0.56811000  1.0
  S  S19  1  0.78425900  0.78498500  0.89275200  1.0
  S  S20  1  0.86800400  0.62458400  0.13593400  1.0
  S  S21  1  0.86548900  0.61912100  0.63899800  1.0
  S  S22  1  0.13360400  0.38029600  0.36440800  1.0
  S  S23  1  0.13501200  0.38014500  0.86189700  1.0
  S  S24  1  0.21508500  0.21518400  0.10886100  1.0
  S  S25  1  0.62042200  0.27069500  0.43403000  1.0
  S  S26  1  0.21506300  0.21506900  0.60825300  1.0
  S  S27  1  0.62161300  0.27435600  0.93276400  1.0
  S  S28  1  0.72482500  0.13554700  0.18880300  1.0
  S  S29  1  0.72864900  0.13291900  0.68899600  1.0