data_Sr2CdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   5.31
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdAs
_chemical_formula_sum   'Sr2 Cd1 As1'
_cell_volume   119.65
_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  0.12  0.0  0.64  1.0
  Sr  Sr3  1  0.12  0.66  0.33  1.0
  Cd  Cd1  1  0.0  0.66  0.71  1.0
  As  As0  1  0.0  0.0  0.26  1.0

data_Sr2CdAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   5.3
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CdAs
_chemical_formula_sum   'Sr2 Cd1 As1'
_cell_volume   119.65
_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  0.88  0.36  0.0  1.0
  Sr  Sr1  1  0.88  0.67  0.34  1.0
  Cd  Cd2  1  -0.0  0.29  0.34  1.0
  As  As3  1  0.0  0.74  0.0  1.0

Sr Sr Cd As
Sr Sr Cd As 0 2 o - o 0 3 o o o 1 3 o + o 1 2 o o o 