data_[Ce6Er4Tm2As12]
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
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2097]
_cell_length_b [12.4848]
_cell_length_c [7.1835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Er2TmAs6]
_chemical_formula_sum '[Ce6 Er4 Tm2 As12]'
_cell_volume [609.2285]
_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
[
  Ce  Ce0  4  0.0000  0.1668  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.0000  0.3334  0.0000  1.0
  Tm  Tm3  2  0.0000  0.0000  0.0000  1.0
  As  As4  8  0.2471  0.1663  0.2422  1.0
  As  As5  4  0.2482  0.5000  0.2425  1.0
]