data_[V4Ag6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1191]
_cell_length_b [4.1216]
_cell_length_c [20.0524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V2(AgAs)3]
_chemical_formula_sum '[V4 Ag6 As6]'
_cell_volume [836.3233]
_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
[
  V  V0  2  0.3416  0.5000  0.4409  1
  V  V1  2  0.4439  0.0000  0.4963  1
  Ag  Ag2  2  0.1111  0.5000  0.6091  1
  Ag  Ag3  2  0.1577  0.0000  0.4907  1
  Ag  Ag4  2  0.2951  0.0000  0.6234  1
  As  As5  2  0.1139  0.5000  0.4031  1
  As  As6  2  0.3820  0.0000  0.3715  1
  As  As7  2  0.4221  0.5000  0.5649  1
]