data_ZrV2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.04
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Si
_chemical_formula_sum   'Zr1 V2 Si1'
_cell_volume   63.76
_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
  Zr  Zr3  1  0.01  0.02  0.75  1.0
  V  V1  1  0.45  0.02  0.24  1.0
  V  V2  1  0.21  0.0  0.72  1.0
  Si  Si0  1  0.36  0.0  0.6  1.0

data_ZrV2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.04
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Si
_chemical_formula_sum   'Zr1 V2 Si1'
_cell_volume   63.76
_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
  Zr  Zr0  1  0.01  0.02  0.75  1.0
  V  V1  1  0.21  0.0  0.72  1.0
  V  V2  1  0.45  0.02  0.24  1.0
  Si  Si3  1  0.36  0.0  0.6  1.0

Zr V V Si
Zr V V Si 0 2 o o o 1 3 o o o 2 3 o o o 