data_SrCa2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   5.37
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2V
_chemical_formula_sum   'Sr1 Ca2 V1'
_cell_volume   135.77
_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  Sr2  1  0.91  0.0  0.5  1.0
  Ca  Ca0  1  0.51  0.69  0.51  1.0
  Ca  Ca1  1  0.31  0.69  0.5  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_SrCa2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.37
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2V
_chemical_formula_sum   'Sr1 Ca2 V1'
_cell_volume   135.77
_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  0.91  0.0  0.5  1.0
  Ca  Ca1  1  0.31  0.69  0.5  1.0
  Ca  Ca2  1  0.51  0.69  0.51  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Sr Ca Ca V