# generated using pymatgen
data_Cu2SnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63266458
_cell_length_b   6.63266458
_cell_length_c   6.63266458
_cell_angle_alpha   146.05128121
_cell_angle_beta   132.14534659
_cell_angle_gamma   59.96351453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnS3
_chemical_formula_sum   'Cu2 Sn1 S3'
_cell_volume   119.70371063
_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
  Cu  Cu0  1  0.16165092  0.17089576  0.99075516  1.0
  Cu  Cu1  1  0.81985940  0.82910424  0.99075516  1.0
  Sn  Sn2  1  0.51971200  0.50000000  0.01971200  1.0
  S  S3  1  0.93947299  0.67615672  0.26331627  1.0
  S  S4  1  0.58715955  0.32384328  0.26331627  1.0
  S  S5  1  0.22214215  -0.00000000  0.22214215  1.0