data_[Ta1Mn1Cr2O6]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1921]
_cell_length_b [5.3810]
_cell_length_c [5.5227]
_cell_angle_alpha [116.7263]
_cell_angle_beta [90.3847]
_cell_angle_gamma [118.1749]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaMnCr2O6]
_chemical_formula_sum '[Ta1 Mn1 Cr2 O6]'
_cell_volume [116.6857]
_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  0.3106  0.6162  0.9374  1.0
  Mn  Mn1  1  0.8085  0.5904  0.4132  1.0
  Cr  Cr2  1  0.0301  0.0464  0.0616  1.0
  Cr  Cr3  1  0.5153  0.0307  0.5406  1.0
  O  O4  1  0.1316  0.8406  0.2519  1.0
  O  O5  1  0.2395  0.8382  0.7640  1.0
  O  O6  1  0.4320  0.5782  0.2630  1.0
  O  O7  1  0.5633  0.4838  0.7324  1.0
  O  O8  1  0.6995  0.1040  0.2404  1.0
  O  O9  1  0.9311  0.1947  0.7803  1.0
]