data_K2CaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   7.36
_cell_angle_alpha   110.93
_cell_angle_beta   110.93
_cell_angle_gamma   59.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaSi
_chemical_formula_sum   'K2 Ca1 Si1'
_cell_volume   162.59
_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  K1  1  0.01  0.0  0.48  1.0
  K  K2  1  1.0  0.0  0.61  1.0
  Ca  Ca0  1  0.19  0.0  0.48  1.0
  Si  Si3  1  0.13  0.0  0.5  1.0

data_K2CaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.25
_cell_length_b   5.31
_cell_length_c   7.36
_cell_angle_alpha   110.93
_cell_angle_beta   90.0
_cell_angle_gamma   119.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CaSi
_chemical_formula_sum   'K2 Ca1 Si1'
_cell_volume   162.59
_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  0.39  1.0
  K  K1  1  0.0  0.99  0.52  1.0
  Ca  Ca2  1  0.0  0.81  0.52  1.0
  Si  Si3  1  0.0  0.87  0.5  1.0

K K Ca Si