# generated using pymatgen
data_LiMo6Cl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90894700
_cell_length_b   9.07120508
_cell_length_c   13.98081311
_cell_angle_alpha   95.60385114
_cell_angle_beta   102.91572809
_cell_angle_gamma   113.72993577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMo6Cl13
_chemical_formula_sum   'Li2 Mo12 Cl26'
_cell_volume   985.62884987
_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
  Li  Li0  1  0.03035300  0.26758800  0.27364100  1
  Li  Li1  1  0.96964700  0.73241200  0.72635900  1
  Mo  Mo2  1  0.60705400  0.22943200  0.52904000  1
  Mo  Mo3  1  0.54796400  0.69266000  0.08700000  1
  Mo  Mo4  1  0.56159100  0.99588100  0.38096800  1
  Mo  Mo5  1  0.39294600  0.77056800  0.47096000  1
  Mo  Mo6  1  0.70346600  0.99724100  0.56817000  1
  Mo  Mo7  1  0.45203600  0.30734000  0.91300000  1
  Mo  Mo8  1  0.35577200  0.54537600  0.90089200  1
  Mo  Mo9  1  0.43840900  0.00411900  0.61903200  1
  Mo  Mo10  1  0.29653400  0.00275900  0.43183000  1
  Mo  Mo11  1  0.68453800  0.61632500  0.95301900  1
  Mo  Mo12  1  0.31546200  0.38367500  0.04698100  1
  Mo  Mo13  1  0.64422800  0.45462400  0.09910800  1
  Cl  Cl14  1  0.46897600  0.21537600  0.35059800  1
  Cl  Cl15  1  0.65364200  0.78320800  0.42736000  1
  Cl  Cl16  1  0.25204800  0.46816900  0.42504200  1
  Cl  Cl17  1  0.26370800  0.78285700  0.29645300  1
  Cl  Cl18  1  0.37872800  0.03679600  0.79266700  1
  Cl  Cl19  1  0.14919200  0.78677000  0.52045800  1
  Cl  Cl20  1  0.34635800  0.21679200  0.57264000  1
  Cl  Cl21  1  0.96628000  0.98169200  0.65493500  1
  Cl  Cl22  1  0.03372000  0.01830800  0.34506500  1
  Cl  Cl23  1  0.50339300  0.52770200  0.21830000  1
  Cl  Cl24  1  0.62127200  0.96320400  0.20733300  1
  Cl  Cl25  1  0.85447000  0.74823200  0.12868300  1
  Cl  Cl26  1  0.49660700  0.47229800  0.78170000  1
  Cl  Cl27  1  0.74795200  0.53183100  0.57495800  1
  Cl  Cl28  1  0.53102400  0.78462400  0.64940200  1
  Cl  Cl29  1  0.58353500  0.83506100  0.94479300  1
  Cl  Cl30  1  0.73629200  0.21714300  0.70354700  1
  Cl  Cl31  1  0.76441900  0.38302100  0.96716300  1
  Cl  Cl32  1  0.14553000  0.25176800  0.87131700  1
  Cl  Cl33  1  0.07116500  0.22356400  0.10821500  1
  Cl  Cl34  1  0.83698300  0.41114500  0.23829100  1
  Cl  Cl35  1  0.85080800  0.21323000  0.47954200  1
  Cl  Cl36  1  0.92883500  0.77643600  0.89178500  1
  Cl  Cl37  1  0.16301700  0.58885500  0.76170900  1
  Cl  Cl38  1  0.41646500  0.16493900  0.05520700  1
  Cl  Cl39  1  0.23558100  0.61697900  0.03283700  1
