data_K2CaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   7.14
_cell_angle_alpha   99.3
_cell_angle_beta   99.3
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaIn
_chemical_formula_sum   'K2 Ca1 In1'
_cell_volume   206.61
_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  0.59  0.0  0.27  1.0
  K  K3  1  0.21  0.0  0.77  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.4  0.0  0.52  1.0

data_K2CaIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   7.14
_cell_length_c   7.31
_cell_angle_alpha   99.3
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaIn
_chemical_formula_sum   'K2 Ca1 In1'
_cell_volume   206.61
_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  0.27  0.59  1.0
  K  K1  1  0.0  0.77  0.21  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.52  0.4  1.0

K K Ca In