data_LaTiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.46
_cell_angle_alpha   105.6
_cell_angle_beta   105.6
_cell_angle_gamma   37.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCr2
_chemical_formula_sum   'La1 Ti1 Cr2'
_cell_volume   76.52
_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
  La  La2  1  0.95  0.0  0.64  1.0
  Ti  Ti3  1  0.44  0.0  0.76  1.0
  Cr  Cr0  1  0.55  0.0  0.21  1.0
  Cr  Cr1  1  0.49  0.0  0.48  1.0

data_LaTiCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.92
_cell_length_c   5.46
_cell_angle_alpha   105.6
_cell_angle_beta   90.0
_cell_angle_gamma   108.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCr2
_chemical_formula_sum   'La1 Ti1 Cr2'
_cell_volume   76.52
_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
  La  La0  1  0.0  0.05  0.36  1.0
  Ti  Ti1  1  0.0  0.56  0.24  1.0
  Cr  Cr2  1  0.0  0.45  0.79  1.0
  Cr  Cr3  1  0.0  0.51  0.52  1.0

La Ti Cr Cr