# generated using pymatgen
data_Mn2CrI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18661591
_cell_length_b   4.18661591
_cell_length_c   21.78509297
_cell_angle_alpha   88.45181401
_cell_angle_beta   88.45181401
_cell_angle_gamma   58.43844520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrI6
_chemical_formula_sum   'Mn2 Cr1 I6'
_cell_volume   325.20482750
_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
  Mn  Mn0  1  0.33386200  0.33386200  0.33279800  1.0
  Mn  Mn1  1  0.66613800  0.66613800  0.66720200  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.00000000  1.0
  I  I3  1  0.99519300  0.99519300  0.74365800  1.0
  I  I4  1  0.35416800  0.35416800  0.07474100  1.0
  I  I5  1  0.66316400  0.66316400  0.40917400  1.0
  I  I6  1  0.64583200  0.64583200  0.92525900  1.0
  I  I7  1  0.00480700  0.00480700  0.25634200  1.0
  I  I8  1  0.33683600  0.33683600  0.59082600  1.0