data_SrZrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.93
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   105.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrCo2
_chemical_formula_sum   'Sr1 Zr1 Co2'
_cell_volume   92.87
_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  0.23  0.0  0.69  1.0
  Zr  Zr3  1  0.49  0.97  0.56  1.0
  Co  Co0  1  0.49  0.0  0.06  1.0
  Co  Co1  1  0.17  0.97  0.98  1.0

data_SrZrCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.93
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   105.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrCo2
_chemical_formula_sum   'Sr1 Zr1 Co2'
_cell_volume   92.87
_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  0.23  0.0  0.69  1.0
  Zr  Zr1  1  0.49  0.97  0.56  1.0
  Co  Co2  1  0.17  0.97  0.98  1.0
  Co  Co3  1  0.49  0.0  0.06  1.0

Sr Zr Co Co
Sr Zr Co Co 0 1 o - o 2 3 o - - 