data_[Ca1Er1Zn10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.2404]
_cell_length_b [5.3317]
_cell_length_c [9.2078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [CaErZn10]
_chemical_formula_sum '[Ca1 Er1 Zn10]'
_cell_volume [208.1736]
_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  0.5000  0.5000  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.5000  0.2446  0.2419  1
  Zn  Zn3  2  0.0000  0.0000  0.3328  1
  Zn  Zn4  2  0.0000  0.5000  0.1656  1
  Zn  Zn5  1  0.5000  0.0000  0.5000  1
  Zn  Zn6  1  0.5000  0.5000  0.0000  1
]