data_[Sr2Ta1Mn1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5649]
_cell_length_b [5.5745]
_cell_length_c [5.7216]
_cell_angle_alpha [118.5331]
_cell_angle_beta [118.8308]
_cell_angle_gamma [90.3770]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2TaMnO6]
_chemical_formula_sum '[Sr2 Ta1 Mn1 O6]'
_cell_volume [129.9733]
_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
[
  Sr  Sr0  2  0.2484  0.7494  0.4978  1.0
  Ta  Ta1  1  0.5000  0.5000  0.0000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.2238  0.7271  0.0010  1.0
  O  O4  2  0.2450  0.1967  0.9487  1.0
  O  O5  2  0.2896  0.2923  0.5296  1.0
]