data_Mn2CdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.25
_cell_angle_alpha   102.09
_cell_angle_beta   102.09
_cell_angle_gamma   36.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdGe
_chemical_formula_sum   'Mn2 Cd1 Ge1'
_cell_volume   66.47
_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  Mn2  1  0.43  0.0  0.97  1.0
  Mn  Mn3  1  0.27  0.0  0.15  1.0
  Cd  Cd0  1  0.85  0.0  0.56  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_Mn2CdGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.67
_cell_length_c   5.25
_cell_angle_alpha   102.09
_cell_angle_beta   90.0
_cell_angle_gamma   108.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdGe
_chemical_formula_sum   'Mn2 Cd1 Ge1'
_cell_volume   66.47
_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  0.57  0.03  1.0
  Mn  Mn1  1  0.0  0.73  0.85  1.0
  Cd  Cd2  1  0.0  0.15  0.44  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Mn Mn Cd Ge
Mn Mn Cd Ge 0 1 o o + 1 3 o o o 2 3 + o + 