# generated using pymatgen
data_Cr2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90950355
_cell_length_b   5.90950355
_cell_length_c   16.66283381
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2S3
_chemical_formula_sum   'Cr12 S18'
_cell_volume   503.94308499
_cell_formula_units_Z   6
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
  Cr  Cr0  1  0.66666700  0.33333300  0.00692600  1
  Cr  Cr1  1  0.33333300  0.66666700  0.16238600  1
  Cr  Cr2  1  0.66666700  0.33333300  0.33292400  1
  Cr  Cr3  1  0.00000000  0.00000000  0.33009600  1
  Cr  Cr4  1  0.33333300  0.66666700  0.34025900  1
  Cr  Cr5  1  0.00000000  0.00000000  0.49571900  1
  Cr  Cr6  1  0.33333300  0.66666700  0.66625800  1
  Cr  Cr7  1  0.66666700  0.33333300  0.66343000  1
  Cr  Cr8  1  0.00000000  0.00000000  0.67359300  1
  Cr  Cr9  1  0.66666700  0.33333300  0.82905200  1
  Cr  Cr10  1  0.00000000  0.00000000  0.99959100  1
  Cr  Cr11  1  0.33333300  0.66666700  0.99676300  1
  S  S12  1  0.00609100  0.66359400  0.25209800  1
  S  S13  1  0.00889500  0.33368400  0.08156900  1
  S  S14  1  0.65750300  0.99390900  0.25209800  1
  S  S15  1  0.66631600  0.67521100  0.08156900  1
  S  S16  1  0.32478900  0.99110500  0.08156900  1
  S  S17  1  0.33640600  0.34249700  0.25209800  1
  S  S18  1  0.67275800  0.99692800  0.58543200  1
  S  S19  1  0.67556200  0.66701700  0.41490200  1
  S  S20  1  0.32416900  0.32724200  0.58543200  1
  S  S21  1  0.33298300  0.00854500  0.41490200  1
  S  S22  1  0.99145500  0.32443800  0.41490200  1
  S  S23  1  0.00307200  0.67583100  0.58543200  1
  S  S24  1  0.33942500  0.33026100  0.91876500  1
  S  S25  1  0.34222800  0.00035000  0.74823500  1
  S  S26  1  0.99083600  0.66057500  0.91876500  1
  S  S27  1  0.99965000  0.34187800  0.74823500  1
  S  S28  1  0.65812200  0.65777200  0.74823500  1
  S  S29  1  0.66973900  0.00916400  0.91876500  1
