data_[Mn4V4Sn4Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6489]
_cell_length_b [13.5555]
_cell_length_c [9.9970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MnVSnSe3]
_chemical_formula_sum '[Mn4 V4 Sn4 Se12]'
_cell_volume [494.4799]
_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  0.0000  0.4088  0.7500  1
  V  V1  4  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0000  0.2512  0.2500  1
  Se  Se3  8  0.0000  0.3678  0.5127  1
  Se  Se4  4  0.0000  0.0379  0.7500  1
]