data_[K4Ca2P4O12]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1150]
_cell_length_b [5.8165]
_cell_length_c [6.7829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ca(PO3)2]
_chemical_formula_sum '[K4 Ca2 P4 O12]'
_cell_volume [337.8093]
_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  4  0.2159  0.5000  0.1922  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.0461  0.0000  0.1883  1.0
  O  O3  8  0.0184  0.2210  0.7650  1.0
  O  O4  4  0.2259  0.0000  0.3170  1.0
]