# generated using pymatgen
data_ZrCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07174138
_cell_length_b   7.07192755
_cell_length_c   6.93337426
_cell_angle_alpha   60.67477503
_cell_angle_beta   60.67391470
_cell_angle_gamma   62.40883383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrS4
_chemical_formula_sum   'Zr2 Cr2 S8'
_cell_volume   251.94026170
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.99989800  0.49974000  0.50017300  1.0
  Zr  Zr1  1  0.50004500  0.00000600  0.49995800  1.0
  Cr  Cr2  1  0.50004200  0.50006600  0.49987700  1.0
  Cr  Cr3  1  0.49990300  0.50026800  0.00001500  1.0
  S  S4  1  0.74305800  0.74300700  0.76700500  1.0
  S  S5  1  0.25697600  0.25690700  0.75311400  1.0
  S  S6  1  0.28295800  0.72974500  0.24381000  1.0
  S  S7  1  0.72972100  0.28307900  0.24365300  1.0
  S  S8  1  0.71685300  0.27031500  0.75630500  1.0
  S  S9  1  0.27027100  0.71693500  0.75627500  1.0
  S  S10  1  0.25707700  0.25694400  0.23294700  1.0
  S  S11  1  0.74319300  0.74299100  0.24685600  1.0