data_[Hf2Mn2V8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.0633]
_cell_length_b [4.1607]
_cell_length_c [6.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [HfMnV4]
_chemical_formula_sum '[Hf2 Mn2 V8]'
_cell_volume [176.4524]
_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
[
  Hf  Hf0  2  0.2500  0.0000  0.6175  1
  Mn  Mn1  2  0.2500  0.0000  0.2499  1
  V  V2  4  0.0478  0.5000  0.3067  1
  V  V3  2  0.0000  0.0000  0.0000  1
  V  V4  2  0.2500  0.5000  0.9684  1
]