data_SrV2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   127.67
_cell_angle_beta   127.67
_cell_angle_gamma   77.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrV2Se
_chemical_formula_sum   'Sr1 V2 Se1'
_cell_volume   84.18
_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
  Sr  Sr1  1  0.0  0.28  0.02  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.28  0.0  0.02  1.0
  Se  Se0  1  0.0  0.0  0.04  1.0

data_SrV2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.17
_cell_angle_alpha   116.16
_cell_angle_beta   116.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrV2Se
_chemical_formula_sum   'Sr1 V2 Se1'
_cell_volume   84.18
_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
  Sr  Sr0  1  0.26  0.28  0.26  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.98  0.0  0.26  1.0
  Se  Se3  1  0.96  0.0  0.96  1.0

Sr V V Se
Sr V V Se 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 