data_[Ca1La2Er1Sb4]
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
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7567]
_cell_length_b [4.5590]
_cell_length_c [7.9644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaLa2ErSb4]
_chemical_formula_sum '[Ca1 La2 Er1 Sb4]'
_cell_volume [264.8515]
_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  0.5000  0.5000  0.0000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  La  La2  1  0.0000  0.5000  0.5000  1.0
  Er  Er3  1  0.5000  0.0000  0.5000  1.0
  Sb  Sb4  2  0.2579  0.0000  0.7464  1.0
  Sb  Sb5  2  0.2619  0.5000  0.2591  1.0
]