data_[K2Rb4Sr2Ca1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.5447]
_cell_length_b [4.5447]
_cell_length_c [35.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [K2Rb4Sr2Ca]
_chemical_formula_sum '[K2 Rb4 Sr2 Ca1]'
_cell_volume [631.0576]
_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  0.0000  0.0000  0.0050  1.0
  Rb  Rb1  1  0.0000  0.0000  0.2436  1.0
  Rb  Rb2  1  0.0000  0.0000  0.4764  1.0
  Rb  Rb3  1  0.6667  0.3333  0.1217  1.0
  K  K4  1  0.6667  0.3333  0.3601  1.0
  Rb  Rb5  1  0.6667  0.3333  0.8884  1.0
  Sr  Sr6  1  0.6667  0.3333  0.5871  1.0
  Sr  Sr7  1  0.6667  0.3333  0.7647  1.0
  Ca  Ca8  1  0.0000  0.0000  0.6760  1.0
]