data_[Co6Sn2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.4035]
_cell_length_b [19.8781]
_cell_length_c [6.8721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Co3SnAs3]
_chemical_formula_sum '[Co6 Sn2 As6]'
_cell_volume [749.8823]
_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
[
  Co  Co0  2  0.0791  0.0569  0.6425  1
  Co  Co1  2  0.2974  0.0483  0.0901  1
  Co  Co2  2  0.7811  0.0100  0.7449  1
  Sn  Sn3  2  0.5447  0.0753  0.8906  1
  As  As4  2  0.1417  0.0457  0.3376  1
  As  As5  2  0.6602  0.0750  0.4181  1
  As  As6  2  0.9892  0.1227  0.8696  1
]