# generated using pymatgen
data_TiCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23854778
_cell_length_b   5.03718555
_cell_length_c   5.03856952
_cell_angle_alpha   119.98045034
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo3
_chemical_formula_sum   'Ti2 Co6'
_cell_volume   93.18123013
_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
  Ti  Ti0  1  0.75000000  0.66673893  0.33370477  1.0
  Ti  Ti1  1  0.25000000  0.33326782  0.66633314  1.0
  Co  Co2  1  0.75000000  0.16167155  0.32348789  1.0
  Co  Co3  1  0.75000000  0.16185917  0.83841833  1.0
  Co  Co4  1  0.75000000  0.67651976  0.83846244  1.0
  Co  Co5  1  0.25000000  0.83834450  0.67650390  1.0
  Co  Co6  1  0.25000000  0.83815457  0.16157754  1.0
  Co  Co7  1  0.25000000  0.32344370  0.16151198  1.0