data_[Mg7Sc3Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.1976]
_cell_length_b [4.8883]
_cell_length_c [11.3749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg7Sc3Cd2]
_chemical_formula_sum '[Mg7 Sc3 Cd2]'
_cell_volume [288.9460]
_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
[
  Mg  Mg0  2  0.0413  0.5000  0.1638  1
  Mg  Mg1  2  0.2423  0.5000  0.4643  1
  Mg  Mg2  2  0.4596  0.0000  0.1619  1
  Mg  Mg3  1  0.0000  0.0000  0.0000  1
  Sc  Sc4  2  0.0859  0.0000  0.6444  1
  Sc  Sc5  1  0.5000  0.5000  0.0000  1
  Cd  Cd6  2  0.4295  0.5000  0.7210  1
]