data_[K4Rb2Sr2Ca1]
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 [4.4462]
_cell_length_b [4.4462]
_cell_length_c [34.9324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [K4Rb2Sr2Ca]
_chemical_formula_sum '[K4 Rb2 Sr2 Ca1]'
_cell_volume [598.0395]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.0072  1.0
  K  K1  1  0.0000  0.0000  0.2385  1.0
  K  K2  1  0.0000  0.0000  0.4767  1.0
  K  K3  1  0.6667  0.3333  0.1260  1.0
  Rb  Rb4  1  0.6667  0.3333  0.3574  1.0
  K  K5  1  0.6667  0.3333  0.8884  1.0
  Sr  Sr6  1  0.6667  0.3333  0.5848  1.0
  Sr  Sr7  1  0.6667  0.3333  0.7675  1.0
  Ca  Ca8  1  0.0000  0.0000  0.6764  1.0
]