data_[K2Ta4Mn2]
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
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1827]
_cell_length_b [3.0495]
_cell_length_c [7.5266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTa2Mn]
_chemical_formula_sum '[K2 Ta4 Mn2]'
_cell_volume [209.6798]
_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  0.0197  0.5000  0.5094  1
  Ta  Ta1  2  0.2348  0.5000  0.1305  1
  Ta  Ta2  2  0.4897  0.5000  0.9627  1
  Mn  Mn3  2  0.2558  0.0000  0.8974  1
]