data_[Mn2Cd2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7767]
_cell_length_b [3.8250]
_cell_length_c [5.5816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnCdSi]
_chemical_formula_sum '[Mn2 Cd2 Si2]'
_cell_volume [98.1941]
_cell_formula_units_Z [2]
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
[
  Mn  Mn0  2  0.1036  0.7500  0.4167  1
  Cd  Cd1  2  0.2071  0.7500  0.9372  1
  Si  Si2  2  0.4015  0.2500  0.5985  1
]