data_[Ta1Mn2Cu1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2310]
_cell_length_b [5.2336]
_cell_length_c [5.7497]
_cell_angle_alpha [63.2175]
_cell_angle_beta [89.3105]
_cell_angle_gamma [60.3371]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaMn2CuO6]
_chemical_formula_sum '[Ta1 Mn2 Cu1 O6]'
_cell_volume [117.5051]
_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
[
  Ta  Ta0  1  0.8184  0.3691  0.4528  1.0
  Mn  Mn1  1  0.0240  0.9564  0.0647  1.0
  Mn  Mn2  1  0.5154  0.9736  0.5434  1.0
  Cu  Cu3  1  0.2596  0.4722  0.7987  1.0
  O  O4  1  0.0947  0.4698  0.2782  1.0
  O  O5  1  0.2283  0.8828  0.7449  1.0
  O  O6  1  0.4457  0.8095  0.2997  1.0
  O  O7  1  0.6219  0.1473  0.7454  1.0
  O  O8  1  0.7501  0.1408  0.2990  1.0
  O  O9  1  0.9033  0.4554  0.7582  1.0
]