data_[Mn3Co3Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.1886]
_cell_length_b [6.1886]
_cell_length_c [3.5386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [MnCoGe]
_chemical_formula_sum '[Mn3 Co3 Ge3]'
_cell_volume [117.3660]
_cell_formula_units_Z [3]
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  3  0.0000  0.4145  0.5000  1
  Co  Co1  3  0.0000  0.7504  0.0000  1
  Ge  Ge2  2  0.3333  0.6667  0.0000  1
  Ge  Ge3  1  0.0000  0.0000  0.5000  1
]