data_MnCu2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2Ge
_chemical_formula_sum   'Mn1 Cu2 Ge1'
_cell_volume   53.46
_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  Mn3  1  0.0  0.0  0.67  1.0
  Cu  Cu0  1  0.92  0.0  0.89  1.0
  Cu  Cu1  1  0.0  0.0  0.26  1.0
  Ge  Ge2  1  0.92  0.0  0.44  1.0

data_MnCu2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2Ge
_chemical_formula_sum   'Mn1 Cu2 Ge1'
_cell_volume   53.46
_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  0.67  1.0
  Cu  Cu1  1  0.0  0.0  0.26  1.0
  Cu  Cu2  1  0.92  0.0  0.89  1.0
  Ge  Ge3  1  0.92  0.0  0.44  1.0

Mn Cu Cu Ge