data_[Mn4Al10V2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8520]
_cell_length_b [3.8520]
_cell_length_c [15.1051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Mn2Al5V]
_chemical_formula_sum '[Mn4 Al10 V2]'
_cell_volume [224.1260]
_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
[
  Mn  Mn0  4  0.0000  0.0000  0.2464  1.0
  Al  Al1  8  0.0000  0.5000  0.1350  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  V  V3  2  0.0000  0.0000  0.0000  1.0
]