data_Ti2VCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.09
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VCr
_chemical_formula_sum   'Ti2 V1 Cr1'
_cell_volume   58.01
_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  0.05  0.0  0.98  1.0
  Ti  Ti2  1  0.77  0.04  0.33  1.0
  V  V3  1  0.69  0.0  0.65  1.0
  Cr  Cr0  1  0.93  0.04  0.74  1.0

data_Ti2VCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.09
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VCr
_chemical_formula_sum   'Ti2 V1 Cr1'
_cell_volume   58.01
_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  0.05  0.0  0.98  1.0
  Ti  Ti1  1  0.77  0.04  0.33  1.0
  V  V2  1  0.69  0.0  0.65  1.0
  Cr  Cr3  1  0.93  0.04  0.74  1.0

Ti Ti V Cr