data_SrY2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   3.48
_cell_angle_alpha   103.32
_cell_angle_beta   103.32
_cell_angle_gamma   119.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Co
_chemical_formula_sum   'Sr1 Y2 Co1'
_cell_volume   111.33
_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  0.25  0.0  0.0  1.0
  Y  Y2  1  0.83  0.24  0.55  1.0
  Y  Y3  1  0.83  0.76  0.55  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_SrY2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.81
_cell_length_c   6.4
_cell_angle_alpha   115.41
_cell_angle_beta   103.32
_cell_angle_gamma   95.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Co
_chemical_formula_sum   'Sr1 Y2 Co1'
_cell_volume   111.33
_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  0.0  0.25  1.0
  Y  Y1  1  0.31  0.76  0.59  1.0
  Y  Y2  1  0.79  0.24  0.07  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Sr Y Y Co
Sr Y Y Co 0 3 o o o 0 1 o o o 1 2 o o o 1 2 o - o 1 3 + o o 1 3 + o + 1 1 o o + 2 3 + + + 