data_BaCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   6.77
_cell_angle_alpha   110.03
_cell_angle_beta   110.03
_cell_angle_gamma   58.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Ge
_chemical_formula_sum   'Ba1 Cd2 Ge1'
_cell_volume   120.23
_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  0.58  0.0  0.7  1.0
  Cd  Cd1  1  0.68  0.0  0.64  1.0
  Cd  Cd2  1  0.08  0.0  0.44  1.0
  Ge  Ge3  1  0.83  0.0  0.78  1.0

data_BaCd2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.77
_cell_length_c   6.77
_cell_angle_alpha   110.03
_cell_angle_beta   90.0
_cell_angle_gamma   119.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Ge
_chemical_formula_sum   'Ba1 Cd2 Ge1'
_cell_volume   120.23
_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  0.0  0.42  0.3  1.0
  Cd  Cd1  1  0.0  0.32  0.36  1.0
  Cd  Cd2  1  0.0  0.92  0.56  1.0
  Ge  Ge3  1  0.0  0.17  0.22  1.0

Ba Cd Cd Ge
Ba Cd Cd Ge 0 1 o o o 0 2 o o o 0 3 o o o 1 2 + o o 1 2 o o o 1 3 o o o 2 3 - o o 