data_[Cr1Sb1Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9887]
_cell_length_b [4.3667]
_cell_length_c [5.2286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrSbMo2]
_chemical_formula_sum '[Cr1 Sb1 Mo2]'
_cell_volume [65.9498]
_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
[
  Cr  Cr0  1  0.3389  0.5000  0.7930  1
  Sb  Sb1  1  0.3618  0.0000  0.5020  1
  Mo  Mo2  1  0.0342  0.0000  0.9720  1
  Mo  Mo3  1  0.7651  0.5000  0.2330  1
]