data_[K2Ca10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7700]
_cell_length_b [3.9005]
_cell_length_c [9.8177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCa5]
_chemical_formula_sum '[K2 Ca10]'
_cell_volume [546.6424]
_cell_formula_units_Z [2]
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  2  0.2221  0.5000  0.9453  1.0
  Ca  Ca1  2  0.0537  0.0000  0.6051  1.0
  Ca  Ca2  2  0.1652  0.5000  0.3368  1.0
  Ca  Ca3  2  0.3368  0.0000  0.6551  1.0
  Ca  Ca4  2  0.3948  0.0000  0.2895  1.0
  Ca  Ca5  2  0.4941  0.5000  0.0016  1.0
]