data_[Nb2B4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.1305]
_cell_length_b [3.2370]
_cell_length_c [8.6734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NbB2Mo]
_chemical_formula_sum '[Nb2 B4 Mo2]'
_cell_volume [87.8917]
_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
[
  Nb  Nb0  2  0.5000  0.0000  0.0255  1.0
  B  B1  2  0.0000  0.0000  0.4347  1.0
  B  B2  2  0.5000  0.0000  0.3191  1.0
  Mo  Mo3  2  0.0000  0.0000  0.7355  1.0
]