data_KCa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   4.89
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Sn
_chemical_formula_sum   'K1 Ca2 Sn1'
_cell_volume   164.13
_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  K2  1  0.04  0.0  0.75  1.0
  Ca  Ca0  1  0.65  0.0  0.25  1.0
  Ca  Ca1  1  0.84  0.44  0.69  1.0
  Sn  Sn3  1  0.76  0.44  0.27  1.0

data_KCa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.89
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Sn
_chemical_formula_sum   'K1 Ca2 Sn1'
_cell_volume   164.13
_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  0.04  0.0  0.75  1.0
  Ca  Ca1  1  0.65  0.0  0.25  1.0
  Ca  Ca2  1  0.84  0.44  0.69  1.0
  Sn  Sn3  1  0.76  0.44  0.27  1.0

K Ca Ca Sn