data_[Na2Zr1V1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5859]
_cell_length_b [3.9027]
_cell_length_c [7.3624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2ZrVSe4]
_chemical_formula_sum '[Na2 Zr1 V1 Se4]'
_cell_volume [180.0553]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.0000  0.5000  0.5000  1.0
  Na  Na1  1  0.5000  0.0000  0.5000  1.0
  Zr  Zr2  1  0.0000  0.0000  0.0000  1.0
  V  V3  1  0.5000  0.5000  0.0000  1.0
  Se  Se4  2  0.2474  0.5000  0.2195  1.0
  Se  Se5  2  0.2700  0.0000  0.7876  1.0
]