data_[Mn4V4Ga20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [12.5379]
_cell_length_b [12.6216]
_cell_length_c [2.6897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [MnVGa5]
_chemical_formula_sum '[Mn4 V4 Ga20]'
_cell_volume [425.6363]
_cell_formula_units_Z [4]
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  4  0.0000  0.1783  0.5000  1.0
  V  V1  4  0.1806  0.5000  0.5000  1.0
  Ga  Ga2  8  0.1156  0.3204  0.0000  1.0
  Ga  Ga3  8  0.1782  0.1173  0.0000  1.0
  Ga  Ga4  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]