data_[Ca4La2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8797]
_cell_length_b [4.0862]
_cell_length_c [9.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2LaF7]
_chemical_formula_sum '[Ca4 La2 F14]'
_cell_volume [277.9140]
_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
[
  Ca  Ca0  2  0.1572  0.5000  0.3516  1.0
  Ca  Ca1  2  0.3456  0.0000  0.6655  1.0
  La  La2  2  0.4664  0.5000  0.0001  1.0
  F  F3  2  0.1312  0.5000  0.8725  1.0
  F  F4  2  0.1414  0.5000  0.1236  1.0
  F  F5  2  0.1649  0.5000  0.5828  1.0
  F  F6  2  0.3020  0.0000  0.9864  1.0
  F  F7  2  0.3261  0.0000  0.4282  1.0
  F  F8  2  0.4851  0.5000  0.2642  1.0
  F  F9  2  0.4887  0.5000  0.7418  1.0
]