data_TiCr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   143.98
_cell_angle_beta   132.92
_cell_angle_gamma   60.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2Co
_chemical_formula_sum   'Ti1 Cr2 Co1'
_cell_volume   49.41
_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  Ti3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.95  0.12  1.0
  Cr  Cr2  1  0.51  0.0  0.09  1.0
  Co  Co0  1  0.0  0.0  0.21  1.0

data_TiCr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.89
_cell_length_c   4.88
_cell_angle_alpha   113.54
_cell_angle_beta   108.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2Co
_chemical_formula_sum   'Ti1 Cr2 Co1'
_cell_volume   49.41
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.42  0.91  0.42  1.0
  Cr  Cr2  1  0.88  0.83  0.83  1.0
  Co  Co3  1  0.79  0.79  0.79  1.0

Ti Cr Cr Co