data_[Ti2Mn2V2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.3773]
_cell_length_b [3.5369]
_cell_length_c [6.3736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiMnVSe4]
_chemical_formula_sum '[Ti2 Mn2 V2 Se8]'
_cell_volume [266.5502]
_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  2  0.2509  0.0000  0.2962  1
  Mn  Mn1  2  0.4977  0.5000  0.9992  1
  V  V2  2  0.2507  0.5000  0.7058  1
  Se  Se3  2  0.1127  0.0000  0.4570  1
  Se  Se4  2  0.1358  0.5000  0.9669  1
  Se  Se5  2  0.3628  0.0000  0.0261  1
  Se  Se6  2  0.3893  0.5000  0.5487  1
]