data_[Zr12Co10Tc2]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5511]
_cell_length_b [6.4236]
_cell_length_c [13.6138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zr6Co5Tc]
_chemical_formula_sum '[Zr12 Co10 Tc2]'
_cell_volume [397.9926]
_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
[
  Zr  Zr0  8  0.0000  0.2511  0.8322  1
  Zr  Zr1  4  0.0000  0.2476  0.5000  1
  Co  Co2  4  0.0000  0.0000  0.3318  1
  Co  Co3  4  0.0000  0.5000  0.3341  1
  Co  Co4  2  0.0000  0.5000  0.0000  1
  Tc  Tc5  2  0.0000  0.0000  0.0000  1
]