data_Sr2TaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TaV
_chemical_formula_sum   'Sr2 Ta1 V1'
_cell_volume   100.38
_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  0.12  0.0  0.64  1.0
  Sr  Sr1  1  0.12  0.0  0.19  1.0
  Ta  Ta2  1  0.0  0.0  0.41  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_Sr2TaV
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2TaV
_chemical_formula_sum   'Sr2 Ta1 V1'
_cell_volume   100.43
_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
  Sr  Sr0  1  0.12  0.0  0.19  1.0
  Sr  Sr1  1  0.12  0.0  0.64  1.0
  Ta  Ta2  1  0.0  0.0  0.41  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Sr Sr Ta V
Sr Sr Ta V 0 2 o o o 0 0 o + o 0 0 + o o 1 3 o o o 1 2 o o o 2 2 o + o 2 2 + o o 