data_[Mg2Cd1Te1]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1677]
_cell_length_b [4.0888]
_cell_length_c [6.2860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mg2CdTe]
_chemical_formula_sum '[Mg2 Cd1 Te1]'
_cell_volume [103.1439]
_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  1  0.0154  0.0000  0.0752  1
  Mg  Mg1  1  0.4883  0.5000  0.6779  1
  Cd  Cd2  1  0.5451  0.5000  0.1618  1
  Te  Te3  1  0.9512  0.0000  0.5850  1
]