data_[Ta1Mn2Co1O6]
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
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2230]
_cell_length_b [5.2818]
_cell_length_c [5.5301]
_cell_angle_alpha [116.7935]
_cell_angle_beta [90.2709]
_cell_angle_gamma [117.7651]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaMn2CoO6]
_chemical_formula_sum '[Ta1 Mn2 Co1 O6]'
_cell_volume [115.9612]
_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  0.6954  0.3814  0.0617  1
  Mn  Mn1  1  0.4810  0.9677  0.4506  1
  Mn  Mn2  1  0.9818  0.9484  0.9184  1
  Co  Co3  1  0.2041  0.4060  0.5788  1
  O  O4  1  0.0490  0.4588  0.2615  1
  O  O5  1  0.3056  0.1783  0.7378  1
  O  O6  1  0.4103  0.1715  0.2444  1
  O  O7  1  0.5793  0.8852  0.7456  1
  O  O8  1  0.7314  0.8091  0.2377  1
  O  O9  1  0.9006  0.4705  0.7787  1
]