# generated using pymatgen
data_MgCr2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02455900
_cell_length_b   5.95979600
_cell_length_c   14.01281800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2S5
_chemical_formula_sum   'Mg2 Cr4 S10'
_cell_volume   336.10515561
_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
  Mg  Mg0  1  0.00000000  0.12907900  0.50000000  1.0
  Mg  Mg1  1  0.50000000  0.87092100  0.00000000  1.0
  Cr  Cr2  1  0.50000000  0.58409900  0.65232500  1.0
  Cr  Cr3  1  0.00000000  0.41590100  0.84767500  1.0
  Cr  Cr4  1  0.00000000  0.41590100  0.15232500  1.0
  Cr  Cr5  1  0.50000000  0.58409900  0.34767500  1.0
  S  S6  1  0.00000000  0.57066900  0.00000000  1.0
  S  S7  1  0.50000000  0.42933100  0.50000000  1.0
  S  S8  1  0.00000000  0.40161600  0.68231300  1.0
  S  S9  1  0.50000000  0.59838400  0.81768700  1.0
  S  S10  1  0.00000000  0.40161600  0.31768700  1.0
  S  S11  1  0.50000000  0.59838400  0.18231300  1.0
  S  S12  1  0.50000000  0.92801400  0.39197600  1.0
  S  S13  1  0.00000000  0.07198600  0.10802400  1.0
  S  S14  1  0.00000000  0.07198600  0.89197600  1.0
  S  S15  1  0.50000000  0.92801400  0.60802400  1.0