data_[Ta2Co6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.6516]
_cell_length_b [8.6646]
_cell_length_c [19.1698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta(CoAs)3]
_chemical_formula_sum '[Ta2 Co6 As6]'
_cell_volume [772.6280]
_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  2  0.0064  0.5000  0.5138  1
  Co  Co1  4  0.2084  0.2926  0.5964  1
  Co  Co2  2  0.4876  0.5000  0.4120  1
  As  As3  4  0.0146  0.1685  0.5013  1
  As  As4  2  0.4945  0.0000  0.3789  1
]