data_[Ca4Ta2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6911]
_cell_length_b [10.4002]
_cell_length_c [2.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2TaTc]
_chemical_formula_sum '[Ca4 Ta2 Tc2]'
_cell_volume [169.1538]
_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
[
  Ca  Ca0  4  0.2500  0.2500  0.0000  1
  Ta  Ta1  2  0.0000  0.0000  0.5000  1
  Tc  Tc2  2  0.0000  0.5000  0.5000  1
]