data_[Mn4V12Ga4]
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 [C2/m]
_cell_length_a [8.8261]
_cell_length_b [4.1382]
_cell_length_c [7.3304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnV3Ga]
_chemical_formula_sum '[Mn4 V12 Ga4]'
_cell_volume [262.0093]
_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  0.1503  0.5000  0.0370  1.0
  V  V1  4  0.0699  0.0000  0.8621  1.0
  V  V2  4  0.1517  0.0000  0.5579  1.0
  V  V3  4  0.2358  0.0000  0.2381  1.0
  Ga  Ga4  4  0.0471  0.5000  0.3374  1.0
]