data_LaScCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScCr2
_chemical_formula_sum   'La1 Sc1 Cr2'
_cell_volume   78.51
_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  0.02  0.54  0.54  1.0
  Sc  Sc3  1  0.46  0.0  0.42  1.0
  Cr  Cr0  1  0.92  0.54  0.9  1.0
  Cr  Cr1  1  0.49  0.0  0.8  1.0

data_LaScCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.27
_cell_angle_alpha   90.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScCr2
_chemical_formula_sum   'La1 Sc1 Cr2'
_cell_volume   78.51
_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  0.46  0.98  0.46  1.0
  Sc  Sc1  1  0.0  0.54  0.58  1.0
  Cr  Cr2  1  0.0  0.51  0.2  1.0
  Cr  Cr3  1  0.46  0.08  0.1  1.0

La Sc Cr Cr