data_BaMnCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   4.63
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   102.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnCd2
_chemical_formula_sum   'Ba1 Mn1 Cd2'
_cell_volume   111.99
_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
  Ba  Ba0  1  0.24  0.0  0.46  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.94  0.32  0.61  1.0
  Cd  Cd2  1  0.04  0.32  0.31  1.0

data_BaMnCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.63
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   102.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnCd2
_chemical_formula_sum   'Ba1 Mn1 Cd2'
_cell_volume   111.99
_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
  Ba  Ba0  1  0.24  0.0  0.46  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.04  0.32  0.31  1.0
  Cd  Cd3  1  0.94  0.32  0.61  1.0

Ba Mn Cd Cd