# generated using pymatgen
data_TlCrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67553927
_cell_length_b   7.67553927
_cell_length_c   7.67554021
_cell_angle_alpha   27.12632428
_cell_angle_beta   27.12632428
_cell_angle_gamma   27.12633513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrS2
_chemical_formula_sum   'Tl1 Cr1 S2'
_cell_volume   82.93330985
_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
  Tl  Tl0  1  0.83365724  0.83365724  0.83365724  1.0
  Cr  Cr1  1  0.00020145  0.00020145  0.00020145  1.0
  S  S2  1  0.39065209  0.39065209  0.39065209  1.0
  S  S3  1  0.60878922  0.60878922  0.60878922  1.0