data_[Mg4Cd5In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6668]
_cell_length_b [3.2786]
_cell_length_c [10.2892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg4Cd5In2]
_chemical_formula_sum '[Mg4 Cd5 In2]'
_cell_volume [257.4441]
_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  0.1751  0.5000  0.8967  1.0
  Mg  Mg1  2  0.2884  0.5000  0.4443  1.0
  Cd  Cd2  2  0.1831  0.0000  0.1535  1.0
  Cd  Cd3  2  0.4546  0.0000  0.7010  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  In  In5  2  0.0684  0.0000  0.6399  1.0
]