data_LaTiCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.18
_cell_length_c   3.07
_cell_angle_alpha   82.53
_cell_angle_beta   73.28
_cell_angle_gamma   24.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCr
_chemical_formula_sum   'La1 Ti1 Cr1'
_cell_volume   60.45
_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  La1  1  0.69  0.56  0.07  1.0
  Ti  Ti2  1  0.69  0.56  0.09  1.0
  Cr  Cr0  1  0.69  0.56  0.73  1.0

data_LaTiCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.38
_cell_length_b   13.95
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   123.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTiCr
_chemical_formula_sum   'La2 Ti2 Cr2'
_cell_volume   120.91
_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
  La  La0  2  0.06  0.5  0.24  1.0
  Ti  Ti1  2  0.06  0.5  0.22  1.0
  Cr  Cr2  2  0.06  0.5  0.57  1.0

La Ti Cr