# generated using pymatgen
data_MgCu3TeS3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68258028
_cell_length_b   5.88515948
_cell_length_c   5.68258037
_cell_angle_alpha   79.67530719
_cell_angle_beta   82.20831141
_cell_angle_gamma   79.67529656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu3TeS3Cl
_chemical_formula_sum   'Mg1 Cu3 Te1 S3 Cl1'
_cell_volume   182.88370923
_cell_formula_units_Z   1
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  0.02832317  0.04916862  0.02832317  1.0
  Cu  Cu1  1  0.64901136  0.65771996  0.18766573  1.0
  Cu  Cu2  1  0.68911380  0.14601489  0.68911380  1.0
  Cu  Cu3  1  0.18766573  0.65771996  0.64901136  1.0
  Te  Te4  1  0.31402969  0.39584330  0.31402969  1.0
  S  S5  1  0.48322468  0.00648188  0.01547593  1.0
  S  S6  1  0.01602806  0.50932011  0.01602806  1.0
  S  S7  1  0.01547593  0.00648188  0.48322468  1.0
  Cl  Cl8  1  0.62551059  0.56772840  0.62551059  1.0