data_[Ta2Mn12V10]
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
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1146]
_cell_length_b [12.3384]
_cell_length_c [5.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TaMn6V5]
_chemical_formula_sum '[Ta2 Mn12 V10]'
_cell_volume [295.5992]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  8  0.0000  0.1696  0.2540  1
  Mn  Mn2  4  0.0000  0.5000  0.2577  1
  V  V3  4  0.0000  0.3307  0.0000  1
  V  V4  4  0.0000  0.3326  0.5000  1
  V  V5  2  0.0000  0.0000  0.5000  1
]