# generated using pymatgen
data_TiCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55996244
_cell_length_b   5.55996244
_cell_length_c   5.55996244
_cell_angle_alpha   140.62099266
_cell_angle_beta   140.62099266
_cell_angle_gamma   56.91161261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrO4
_chemical_formula_sum   'Ti1 Cr1 O4'
_cell_volume   68.61459956
_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
  Ti  Ti0  1  0.75000000  0.25000000  0.50000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1.0
  O  O2  1  0.96059800  0.46059800  0.50000000  1.0
  O  O3  1  0.79763800  0.79763800  0.00000000  1.0
  O  O4  1  0.53940200  0.03940200  0.50000000  1.0
  O  O5  1  0.20236200  0.20236200  0.00000000  1.0