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 [C2/m]
_cell_length_a [10.2449]
_cell_length_b [4.0344]
_cell_length_c [6.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrCoSn]
_chemical_formula_sum '[Zr4 Co4 Sn4]'
_cell_volume [219.8458]
_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  4  0.0727  0.0000  0.3419  1.0
  Co  Co1  4  0.1461  0.5000  0.6627  1.0
  Sn  Sn2  4  0.1724  0.5000  0.0854  1.0
]