data_[Mn2Cd1Si1]
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 [P4mm]
_cell_length_a [2.7792]
_cell_length_b [2.7792]
_cell_length_c [7.5745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mn2CdSi]
_chemical_formula_sum '[Mn2 Cd1 Si1]'
_cell_volume [58.5060]
_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
[
  Mn  Mn0  1  0.0000  0.0000  0.0507  1
  Mn  Mn1  1  0.5000  0.5000  0.2469  1
  Cd  Cd2  1  0.5000  0.5000  0.7622  1
  Si  Si3  1  0.0000  0.0000  0.4403  1
]