data_[Ce1Er2Zr1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0081]
_cell_length_b [4.0619]
_cell_length_c [7.0234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeEr2ZrAs4]
_chemical_formula_sum '[Ce1 Er2 Zr1 As4]'
_cell_volume [188.6242]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.5000  1.0
  Er  Er1  1  0.5000  0.0000  0.5000  1.0
  Er  Er2  1  0.5000  0.5000  0.0000  1.0
  Zr  Zr3  1  0.0000  0.0000  0.0000  1.0
  As  As4  2  0.2441  0.5000  0.2400  1.0
  As  As5  2  0.2507  0.0000  0.7594  1.0
]