data_Ti8Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   91.2
_cell_angle_beta   91.2
_cell_angle_gamma   163.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8Cr
_chemical_formula_sum   'Ti8 Cr1'
_cell_volume   136.61
_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  Ti1  1  0.68  0.0  0.0  1.0
  Ti  Ti2  1  0.29  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.68  0.0  1.0
  Ti  Ti4  1  0.71  0.71  0.0  1.0
  Ti  Ti5  1  0.77  0.23  0.14  1.0
  Ti  Ti6  1  0.0  0.29  0.0  1.0
  Ti  Ti7  1  0.23  0.77  0.14  1.0
  Ti  Ti8  1  0.77  0.77  0.14  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Ti8Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.27
_cell_length_b   15.51
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   98.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti8Cr
_chemical_formula_sum   'Ti16 Cr2'
_cell_volume   273.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.0  0.23  0.86  1.0
  Ti  Ti1  4  0.16  0.84  -0.0  1.0
  Ti  Ti2  4  0.35  0.65  -0.0  1.0
  Ti  Ti3  2  0.23  0.0  0.86  1.0
  Ti  Ti4  2  0.29  0.0  0.0  1.0
  Cr  Cr5  2  0.0  0.0  0.0  1.0

Ti Ti Ti Ti Ti Ti Ti Ti Cr