data_[K2Ta4Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5525]
_cell_length_b [2.7074]
_cell_length_c [7.4771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTa2Re]
_chemical_formula_sum '[K2 Ta4 Re2]'
_cell_volume [193.3729]
_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
[
  K  K0  2  0.4994  0.0000  0.5110  1
  Ta  Ta1  2  0.0048  0.0000  0.9879  1
  Ta  Ta2  2  0.2411  0.5000  0.1593  1
  Re  Re3  2  0.2547  0.0000  0.8417  1
]