data_[La1Sc2Cr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.3144]
_cell_length_b [4.8867]
_cell_length_c [6.2752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaSc2Cr]
_chemical_formula_sum '[La1 Sc2 Cr1]'
_cell_volume [98.1217]
_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  0.5000  0.5000  0.5000  1
  Sc  Sc1  2  0.1063  0.0000  0.7829  1
  Cr  Cr2  1  0.5000  0.5000  0.0000  1
]