data_[K2Ta1Mn1]
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 [P2/m]
_cell_length_a [2.9658]
_cell_length_b [6.3421]
_cell_length_c [5.3114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2TaMn]
_chemical_formula_sum '[K2 Ta1 Mn1]'
_cell_volume [99.8607]
_cell_formula_units_Z [1]
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  0.2398  0.0000  0.2541  1
  Ta  Ta1  1  0.5000  0.5000  0.0000  1
  Mn  Mn2  1  0.0000  0.5000  0.5000  1
]