data_Sr2MgV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   5.85
_cell_angle_alpha   109.81
_cell_angle_beta   109.81
_cell_angle_gamma   31.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgV
_chemical_formula_sum   'Sr2 Mg1 V1'
_cell_volume   123.78
_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  0.55  0.0  0.23  1.0
  Sr  Sr2  1  0.31  0.0  0.7  1.0
  Mg  Mg0  1  0.12  0.0  0.07  1.0
  V  V3  1  0.77  0.0  0.7  1.0

data_Sr2MgV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.85
_cell_length_c   6.62
_cell_angle_alpha   109.81
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgV
_chemical_formula_sum   'Sr2 Mg1 V1'
_cell_volume   123.78
_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  0.0  0.23  0.55  1.0
  Sr  Sr1  1  0.0  0.7  0.31  1.0
  Mg  Mg2  1  0.0  0.07  0.12  1.0
  V  V3  1  0.0  0.7  0.77  1.0

Sr Sr Mg V
Sr Sr Mg V 0 1 o o - 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 2 o o + 1 1 + - o 1 3 - o o 1 3 o o o 2 3 - o - 