data_[Rb4Ca4Zr4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.9919]
_cell_length_b [11.3664]
_cell_length_c [8.6623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbCaZrF7]
_chemical_formula_sum '[Rb4 Ca4 Zr4 F28]'
_cell_volume [688.4097]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  4  0.0000  0.3094  0.7500  1.0
  Zr  Zr2  4  0.0000  0.3072  0.2500  1.0
  F  F3  8  0.0000  0.3000  0.0129  1.0
  F  F4  8  0.1752  0.1532  0.2500  1.0
  F  F5  8  0.2064  0.1425  0.7500  1.0
  F  F6  4  0.0000  0.4897  0.2500  1.0
]