# generated using pymatgen
data_CdCu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77936298
_cell_length_b   6.77936298
_cell_length_c   6.77936298
_cell_angle_alpha   131.04090027
_cell_angle_beta   131.04090027
_cell_angle_gamma   71.74810516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2SnS4
_chemical_formula_sum   'Cd1 Cu2 Sn1 S4'
_cell_volume   173.40021154
_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
  Cd  Cd0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu2  1  0.25000000  0.75000000  0.50000000  1.0
  Sn  Sn3  1  0.50000000  0.50000000  0.00000000  1.0
  S  S4  1  0.39860600  0.88182000  0.00000000  1.0
  S  S5  1  0.88182000  0.39860600  0.00000000  1.0
  S  S6  1  0.60139400  0.60139400  0.48321300  1.0
  S  S7  1  0.11818000  0.11818000  0.51678700  1.0