data_La2ScCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   131.72
_cell_angle_beta   131.72
_cell_angle_gamma   70.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScCr
_chemical_formula_sum   'La2 Sc1 Cr1'
_cell_volume   99.24
_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  0.0  0.0  0.62  1.0
  La  La2  1  0.0  0.32  0.31  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.32  0.0  0.31  1.0

data_La2ScCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.67
_cell_angle_alpha   114.14
_cell_angle_beta   114.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScCr
_chemical_formula_sum   'La2 Sc1 Cr1'
_cell_volume   99.24
_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  0.01  0.32  0.01  1.0
  La  La1  1  0.38  0.0  0.38  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.69  0.0  0.01  1.0

La La Sc Cr