data_[Mn2V2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1435]
_cell_length_b [3.7366]
_cell_length_c [18.7443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnVTe3]
_chemical_formula_sum '[Mn2 V2 Te6]'
_cell_volume [920.5791]
_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  2  0.3981  0.0000  0.5264  1
  V  V1  2  0.1940  0.5000  0.4832  1
  Te  Te2  2  0.0417  0.0000  0.4816  1
  Te  Te3  2  0.2923  0.0000  0.4045  1
  Te  Te4  2  0.2967  0.5000  0.6042  1
]