data_[Zr4Ti12Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8201]
_cell_length_b [4.3439]
_cell_length_c [7.0590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrTi3Co2]
_chemical_formula_sum '[Zr4 Ti12 Co8]'
_cell_volume [382.0630]
_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  0.1279  0.0000  0.1939  1.0
  Ti  Ti1  4  0.0623  0.0000  0.7166  1.0
  Ti  Ti2  4  0.1103  0.5000  0.5062  1.0
  Ti  Ti3  4  0.1964  0.5000  0.9844  1.0
  Co  Co4  4  0.0156  0.5000  0.8462  1.0
  Co  Co5  4  0.2194  0.0000  0.6229  1.0
]