data_KSr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   135.53
_cell_angle_beta   135.53
_cell_angle_gamma   64.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Ni
_chemical_formula_sum   'K1 Sr2 Ni1'
_cell_volume   160.54
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.0  0.0  0.85  1.0
  Sr  Sr3  1  0.0  0.62  0.92  1.0
  Ni  Ni1  1  0.62  0.0  0.92  1.0

data_KSr2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.92
_cell_angle_alpha   112.23
_cell_angle_beta   112.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Ni
_chemical_formula_sum   'K1 Sr2 Ni1'
_cell_volume   160.54
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.3  0.92  0.3  1.0
  Sr  Sr2  1  0.85  0.85  0.85  1.0
  Ni  Ni3  1  0.92  0.3  0.3  1.0

K Sr Sr Ni