data_SrV2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   39.36
_cell_angle_beta   39.36
_cell_angle_gamma   39.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrV2Se
_chemical_formula_sum   'Sr1 V2 Se1'
_cell_volume   94.56
_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  0.0  0.84  1.0
  V  V2  1  0.0  0.0  0.58  1.0
  V  V3  1  0.0  0.0  0.1  1.0
  Se  Se0  1  0.0  0.0  0.0  1.0

data_SrV2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.46
_cell_length_b   4.31
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   112.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrV2Se
_chemical_formula_sum   'Sr2 V4 Se2'
_cell_volume   189.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.16  1.0
  V  V1  2  -0.0  0.0  0.9  1.0
  V  V2  2  -0.0  0.0  0.42  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Sr V V Se