data_[Ta4Cr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9625]
_cell_length_b [3.8242]
_cell_length_c [6.7724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2CrO6]
_chemical_formula_sum '[Ta4 Cr2 O12]'
_cell_volume [233.5629]
_cell_formula_units_Z [2]
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  4  0.1818  0.0000  0.1393  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  O  O2  4  0.0157  0.0000  0.2049  1.0
  O  O3  4  0.1546  0.5000  0.6003  1.0
  O  O4  4  0.1977  0.5000  0.0684  1.0
]