data_MnNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiGe
_chemical_formula_sum   'Mn2 Ni2 Ge2'
_cell_volume   80.23
_cell_formula_units_Z   2
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  0.07  0.2  0.04  1.0
  Mn  Mn1  1  0.0  0.39  0.35  1.0
  Ni  Ni2  1  0.0  0.39  0.04  1.0
  Ni  Ni3  1  0.07  0.2  0.35  1.0
  Ge  Ge4  1  0.0  0.0  0.7  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0

data_MnNiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiGe
_chemical_formula_sum   'Mn2 Ni2 Ge2'
_cell_volume   80.23
_cell_formula_units_Z   2
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  0.39  0.35  1.0
  Mn  Mn1  1  0.07  0.2  0.04  1.0
  Ni  Ni2  1  0.0  0.39  0.04  1.0
  Ni  Ni3  1  0.07  0.2  0.35  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.0  0.0  0.7  1.0

Mn Mn Ni Ni Ge Ge