# generated using pymatgen
data_TiCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20941500
_cell_length_b   5.23251386
_cell_length_c   14.20909848
_cell_angle_alpha   92.12796905
_cell_angle_beta   90.62049100
_cell_angle_gamma   119.69751224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrO3
_chemical_formula_sum   'Ti6 Cr6 O18'
_cell_volume   336.02093158
_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
  Ti  Ti0  1  0.34070800  0.66839600  0.15171000  1.0
  Ti  Ti1  1  0.00480900  0.99215100  0.20008100  1.0
  Ti  Ti2  1  0.00798700  0.00603600  0.69987900  1.0
  Ti  Ti3  1  0.31220800  0.66042200  0.36616600  1.0
  Ti  Ti4  1  0.67180600  0.34840800  0.65176900  1.0
  Ti  Ti5  1  0.65342900  0.31306300  0.86649800  1.0
  Cr  Cr6  1  0.33063300  0.65452100  0.85139300  1.0
  Cr  Cr7  1  0.00159500  0.99479500  0.99398200  1.0
  Cr  Cr8  1  0.99083700  0.00491500  0.49389200  1.0
  Cr  Cr9  1  0.34217500  0.68361100  0.64603400  1.0
  Cr  Cr10  1  0.67763800  0.33434200  0.14653400  1.0
  Cr  Cr11  1  0.65036000  0.32115200  0.35211400  1.0
  O  O12  1  0.98001100  0.29693600  0.59635300  1.0
  O  O13  1  0.96283700  0.29383700  0.91716300  1.0
  O  O14  1  0.37059500  0.34170500  0.75703300  1.0
  O  O15  1  0.72504800  0.70511100  0.59606100  1.0
  O  O16  1  0.67975700  0.65196800  0.91901600  1.0
  O  O17  1  0.00695300  0.65749200  0.74748300  1.0
  O  O18  1  0.66545000  0.02802400  0.74111300  1.0
  O  O19  1  0.30353800  0.05209100  0.59564900  1.0
  O  O20  1  0.33803000  0.00918100  0.91936600  1.0
  O  O21  1  0.69662000  0.97003000  0.09667500  1.0
  O  O22  1  0.64635200  0.97084900  0.41983300  1.0
  O  O23  1  0.33718700  0.97114900  0.25900000  1.0
  O  O24  1  0.01959800  0.36148800  0.24289200  1.0
  O  O25  1  0.28938000  0.30369200  0.09633900  1.0
  O  O26  1  0.29191600  0.33660500  0.41574600  1.0
  O  O27  1  0.65296300  0.65562300  0.24474900  1.0
  O  O28  1  0.00047100  0.67249800  0.42007600  1.0
  O  O29  1  0.04867800  0.73971000  0.09540200  1.0