data_[Cr2Co4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4064]
_cell_length_b [2.5899]
_cell_length_c [4.5209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrCo2Mo]
_chemical_formula_sum '[Cr2 Co4 Mo2]'
_cell_volume [97.0026]
_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
[
  Cr  Cr0  2  0.4909  0.0000  0.4556  1
  Co  Co1  2  0.0060  0.0000  0.0016  1
  Co  Co2  2  0.2505  0.5000  0.2704  1
  Mo  Mo3  2  0.2526  0.0000  0.7724  1
]