data_[La4Sc4Cd4]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6010]
_cell_length_b [5.2366]
_cell_length_c [6.6335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaScCd]
_chemical_formula_sum '[La4 Sc4 Cd4]'
_cell_volume [337.0121]
_cell_formula_units_Z [4]
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  4  0.1673  0.5000  0.5784  1.0
  Sc  Sc1  4  0.0452  0.0000  0.7906  1.0
  Cd  Cd2  4  0.1433  0.5000  0.0574  1.0
]