data_[Ta1Mn1Ni2O6]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0836]
_cell_length_b [5.1745]
_cell_length_c [5.4874]
_cell_angle_alpha [62.7629]
_cell_angle_beta [89.5804]
_cell_angle_gamma [61.3534]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaMn(NiO3)2]
_chemical_formula_sum '[Ta1 Mn1 Ni2 O6]'
_cell_volume [108.3914]
_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  0.3128  0.3656  0.9482  1.0
  Mn  Mn1  1  0.8122  0.3702  0.4479  1.0
  Ni  Ni2  1  0.0198  0.9559  0.0616  1.0
  Ni  Ni3  1  0.5186  0.9598  0.5542  1.0
  O  O4  1  0.0949  0.4705  0.2424  1.0
  O  O5  1  0.2387  0.8223  0.7713  1.0
  O  O6  1  0.4159  0.8845  0.2368  1.0
  O  O7  1  0.6000  0.1915  0.7403  1.0
  O  O8  1  0.7137  0.1857  0.2479  1.0
  O  O9  1  0.9351  0.4707  0.7341  1.0
]