data_[V1Si3Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1968]
_cell_length_b [3.1968]
_cell_length_c [8.0887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [VSi3Mo2]
_chemical_formula_sum '[V1 Si3 Mo2]'
_cell_volume [82.6632]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8337  1
  Si  Si1  1  0.0000  0.0000  0.1653  1
  Si  Si2  1  0.5000  0.5000  0.3342  1
  Si  Si3  1  0.5000  0.5000  0.6681  1
  Mo  Mo4  1  0.0000  0.0000  0.4933  1
  Mo  Mo5  1  0.5000  0.5000  0.0054  1
]