data_[Nb2V1Mo8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.7585]
_cell_length_b [6.9278]
_cell_length_c [9.3727]
_cell_angle_alpha [92.0761]
_cell_angle_beta [95.7234]
_cell_angle_gamma [97.7431]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nb2VMo8]
_chemical_formula_sum '[Nb2 V1 Mo8]'
_cell_volume [176.3728]
_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
[
  Nb  Nb0  1  0.1849  0.7285  0.6075  1
  Nb  Nb1  1  0.9029  0.2698  0.2404  1
  V  V2  1  0.0873  0.9059  0.1489  1
  Mo  Mo3  1  0.0020  0.0934  0.6987  1
  Mo  Mo4  1  0.2752  0.5509  0.0605  1
  Mo  Mo5  1  0.3663  0.3626  0.5164  1
  Mo  Mo6  1  0.4526  0.1800  0.9694  1
  Mo  Mo7  1  0.5435  0.9988  0.4215  1
  Mo  Mo8  1  0.6391  0.8199  0.8840  1
  Mo  Mo9  1  0.7216  0.6406  0.3290  1
  Mo  Mo10  1  0.8165  0.4525  0.7903  1
]