data_[Ti8Mn10V6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.8918]
_cell_length_b [4.8532]
_cell_length_c [8.4304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti4Mn5V3]
_chemical_formula_sum '[Ti8 Mn10 V6]'
_cell_volume [322.8896]
_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
[
  Ti  Ti0  4  0.1839  0.0000  0.3339  1.0
  Ti  Ti1  4  0.3107  0.0000  0.6663  1.0
  Mn  Mn2  4  0.0000  0.2396  0.5871  1.0
  Mn  Mn3  4  0.5000  0.2427  0.4165  1.0
  Mn  Mn4  2  0.0000  0.0000  0.8279  1.0
  V  V5  4  0.2438  0.0000  0.9963  1.0
  V  V6  2  0.5000  0.0000  0.1721  1.0
]