data_Zr2VSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   39.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VSi
_chemical_formula_sum   'Zr2 V1 Si1'
_cell_volume   74.3
_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  Zr2  1  0.0  0.0  0.1  1.0
  Zr  Zr3  1  0.99  0.0  0.16  1.0
  V  V1  1  0.99  0.0  0.32  1.0
  Si  Si0  1  0.0  0.0  0.78  1.0

data_Zr2VSi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.65
_cell_length_b   3.99
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   109.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2VSi
_chemical_formula_sum   'Zr2 V1 Si1'
_cell_volume   74.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.84  0.5  0.84  1.0
  Zr  Zr1  1  0.9  0.5  0.9  1.0
  V  V2  1  0.68  0.5  0.68  1.0
  Si  Si3  1  0.22  0.5  0.22  1.0

Zr Zr V Si