data_ZrV2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.22
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   104.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Se
_chemical_formula_sum   'Zr1 V2 Se1'
_cell_volume   65.79
_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  0.02  0.11  0.71  1.0
  V  V1  1  0.36  0.11  0.26  1.0
  V  V2  1  0.26  0.0  0.73  1.0
  Se  Se0  1  0.38  0.0  0.54  1.0

data_ZrV2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.22
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   104.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Se
_chemical_formula_sum   'Zr1 V2 Se1'
_cell_volume   65.79
_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  0.02  0.11  0.71  1.0
  V  V1  1  0.26  0.0  0.73  1.0
  V  V2  1  0.36  0.11  0.26  1.0
  Se  Se3  1  0.38  0.0  0.54  1.0

Zr V V Se