data_[Ta36Mn3Ge18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.0617]
_cell_length_b [11.0617]
_cell_length_c [10.1173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ta12MnGe6]
_chemical_formula_sum '[Ta36 Mn3 Ge18]'
_cell_volume [1072.1010]
_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
[
  Ta  Ta0  18  0.0305  0.1800  0.3767  1
  Ta  Ta1  18  0.0628  0.1913  0.8615  1
  Mn  Mn2  3  0.0000  0.0000  0.0000  1
  Ge  Ge3  18  0.0401  0.4167  0.2933  1
]