data_[Ni2Sb2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.3057]
_cell_length_b [3.0723]
_cell_length_c [6.4061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [NiSbMo]
_chemical_formula_sum '[Ni2 Sb2 Mo2]'
_cell_volume [104.4213]
_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
[
  Ni  Ni0  2  0.2500  0.5000  0.2736  1
  Sb  Sb1  2  0.2500  0.5000  0.6832  1
  Mo  Mo2  2  0.0000  0.0000  0.0000  1
]