data_[Ca2Y10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.7711]
_cell_length_b [3.6506]
_cell_length_c [19.2038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaY5]
_chemical_formula_sum '[Ca2 Y10]'
_cell_volume [404.5877]
_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  0.0000  0.0000  0.9990  1.0
  Y  Y1  2  0.0000  0.0000  0.3297  1.0
  Y  Y2  2  0.0000  0.0000  0.6704  1.0
  Y  Y3  2  0.5000  0.0000  0.2220  1.0
  Y  Y4  2  0.5000  0.0000  0.5584  1.0
  Y  Y5  2  0.5000  0.0000  0.8872  1.0
]