data_[Nd2Mn2Ga22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2165]
_cell_length_b [12.2386]
_cell_length_c [7.9371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdMnGa11]
_chemical_formula_sum '[Nd2 Mn2 Ga22]'
_cell_volume [479.6074]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  8  0.1151  0.3902  0.2328  1
  Ga  Ga3  8  0.1549  0.1742  0.3636  1
  Ga  Ga4  4  0.2500  0.2500  0.0000  1
  Ga  Ga5  2  0.0000  0.5000  0.5000  1
]