data_MnCdSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdSi2
_chemical_formula_sum   'Mn1 Cd1 Si2'
_cell_volume   62.01
_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  Mn1  1  0.0  0.0  0.7  1.0
  Cd  Cd0  1  0.87  0.0  0.86  1.0
  Si  Si2  1  0.87  0.0  0.18  1.0
  Si  Si3  1  0.0  0.0  0.36  1.0

data_MnCdSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCdSi2
_chemical_formula_sum   'Mn1 Cd1 Si2'
_cell_volume   62.01
_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  0.0  0.0  0.7  1.0
  Cd  Cd1  1  0.87  0.0  0.86  1.0
  Si  Si2  1  0.0  0.0  0.36  1.0
  Si  Si3  1  0.87  0.0  0.18  1.0

Mn Cd Si Si
Mn Cd Si Si 0 1 - o o 2 3 + o o 