data_MnCoGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoGe
_chemical_formula_sum   'Mn2 Co2 Ge2'
_cell_volume   76.18
_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  Mn4  1  0.0  0.35  0.33  1.0
  Mn  Mn5  1  0.03  0.17  0.99  1.0
  Co  Co0  1  0.0  0.35  0.99  1.0
  Co  Co1  1  0.03  0.17  0.33  1.0
  Ge  Ge2  1  0.0  0.0  0.66  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

data_MnCoGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoGe
_chemical_formula_sum   'Mn2 Co2 Ge2'
_cell_volume   76.18
_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  0.35  0.33  1.0
  Mn  Mn1  1  0.03  0.17  0.99  1.0
  Co  Co2  1  0.0  0.35  0.99  1.0
  Co  Co3  1  0.03  0.17  0.33  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.0  0.0  0.66  1.0

Mn Mn Co Co Ge Ge
Mn Mn Co Co Ge Ge 0 3 o o o 1 2 o o o 1 5 o o + 1 4 o o o 3 4 o o o 4 5 o o + 