data_[Ca2Eu1F7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Eu  1.2000  1.8500  1.1985
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9448]
_cell_length_b [3.9448]
_cell_length_c [9.7782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ca2EuF7]
_chemical_formula_sum '[Ca2 Eu1 F7]'
_cell_volume [131.7746]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.3289  1.0
  Ca  Ca1  1  0.6667  0.3333  0.6499  1.0
  Eu  Eu2  1  0.3333  0.6667  0.9987  1.0
  F  F3  1  0.0000  0.0000  0.0184  1.0
  F  F4  1  0.0000  0.0000  0.5714  1.0
  F  F5  1  0.3333  0.6667  0.2527  1.0
  F  F6  1  0.3333  0.6667  0.7400  1.0
  F  F7  1  0.6667  0.3333  0.1283  1.0
  F  F8  1  0.6667  0.3333  0.4147  1.0
  F  F9  1  0.6667  0.3333  0.8805  1.0
]