data_[In6Co4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8367]
_cell_length_b [8.5334]
_cell_length_c [19.3159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [110.8537]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In3Co2As3]
_chemical_formula_sum '[In6 Co4 As6]'
_cell_volume [1053.0646]
_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
[
  In  In0  1  0.1236  0.2382  0.5742  1
  In  In1  1  0.3246  0.8030  0.4240  1
  In  In2  1  0.5442  0.8582  0.5694  1
  In  In3  1  0.7195  0.1773  0.4800  1
  In  In4  1  0.7490  0.6584  0.4583  1
  In  In5  1  0.9270  0.5103  0.5785  1
  Co  Co6  1  0.2919  0.5387  0.5061  1
  Co  Co7  1  0.3249  0.0451  0.5240  1
  Co  Co8  1  0.5312  0.3711  0.5239  1
  Co  Co9  1  0.9222  0.9663  0.5066  1
  As  As10  1  0.0143  0.4858  0.4233  1
  As  As11  1  0.0744  0.8669  0.5942  1
  As  As12  1  0.1696  0.0627  0.4186  1
  As  As13  1  0.3766  0.3810  0.4197  1
  As  As14  1  0.4629  0.5247  0.6114  1
  As  As15  1  0.7463  0.9312  0.3880  1
]