data_[Ta4Cr2Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5087]
_cell_length_b [8.6323]
_cell_length_c [2.8159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2CrOs]
_chemical_formula_sum '[Ta4 Cr2 Os2]'
_cell_volume [125.2484]
_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  0.2500  0.2500  0.0000  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Os  Os2  2  0.0000  0.5000  0.5000  1
]