data_[Zr4Co4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5681]
_cell_length_b [4.0901]
_cell_length_c [6.9715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrCoSn]
_chemical_formula_sum '[Zr4 Co4 Sn4]'
_cell_volume [221.5996]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  2  0.0983  0.5000  0.5117  1
  Zr  Zr1  2  0.3740  0.0000  0.9771  1
  Co  Co2  2  0.1590  0.5000  0.9507  1
  Co  Co3  2  0.3994  0.5000  0.3143  1
  Sn  Sn4  2  0.1813  0.0000  0.2440  1
  Sn  Sn5  2  0.4773  0.5000  0.7251  1
]