data_[Zr8Tc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1552]
_cell_length_b [4.8153]
_cell_length_c [8.0422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr4Tc3]
_chemical_formula_sum '[Zr8 Tc6]'
_cell_volume [259.4820]
_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  2  0.0898  0.7500  0.5957  1
  Zr  Zr1  2  0.0984  0.2500  0.1292  1
  Zr  Zr2  2  0.2007  0.2500  0.8031  1
  Zr  Zr3  2  0.3648  0.7500  0.0474  1
  Tc  Tc4  2  0.2311  0.7500  0.3321  1
  Tc  Tc5  2  0.3741  0.2500  0.5364  1
  Tc  Tc6  2  0.4989  0.2500  0.2626  1
]