data_TiMnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   143.59
_cell_angle_beta   131.1
_cell_angle_gamma   62.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnCo2
_chemical_formula_sum   'Ti1 Mn1 Co2'
_cell_volume   49.81
_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  0.22  1.0
  Mn  Mn2  1  0.51  0.0  0.09  1.0
  Co  Co0  1  0.51  0.0  0.02  1.0
  Co  Co1  1  0.0  0.0  0.05  1.0

data_TiMnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.0
_cell_length_c   4.83
_cell_angle_alpha   114.45
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnCo2
_chemical_formula_sum   'Ti1 Mn1 Co2'
_cell_volume   49.81
_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  0.78  0.78  0.78  1.0
  Mn  Mn1  1  0.42  0.91  0.42  1.0
  Co  Co2  1  0.49  0.98  0.49  1.0
  Co  Co3  1  0.95  0.95  0.95  1.0

Ti Mn Co Co
Ti Mn Co Co 0 3 o o o 1 2 o o o 