data_[Rb1Ca2Mo1F8]
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
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2223]
_cell_length_b [7.4350]
_cell_length_c [5.4284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbCa2MoF8]
_chemical_formula_sum '[Rb1 Ca2 Mo1 F8]'
_cell_volume [210.7391]
_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  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2496  0.5000  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1836  0.1947  0.2193  1.0
  F  F4  2  0.2982  0.0000  0.7291  1.0
  F  F5  2  0.3737  0.5000  0.6957  1.0
]