data_[Co1Ni1Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7759]
_cell_length_b [6.0166]
_cell_length_c [6.7843]
_cell_angle_alpha [68.2192]
_cell_angle_beta [65.5970]
_cell_angle_gamma [63.2248]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CoNiSn6]
_chemical_formula_sum '[Co1 Ni1 Sn6]'
_cell_volume [186.6543]
_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
[
  Co  Co0  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni1  1  0.5000  0.5000  0.5000  1.0
  Sn  Sn2  2  0.0383  0.7594  0.7443  1.0
  Sn  Sn3  2  0.2778  0.5888  0.2084  1.0
  Sn  Sn4  2  0.4131  0.0863  0.7178  1.0
]