data_[Lu1Cd3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2666]
_cell_length_b [12.6481]
_cell_length_c [16.7960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Lu(CdAs)3]
_chemical_formula_sum '[Lu1 Cd3 As3]'
_cell_volume [906.4003]
_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
[
  Lu  Lu0  1  0.0000  0.5000  0.5275  1
  Cd  Cd1  2  0.0000  0.2181  0.5010  1
  Cd  Cd2  1  0.0000  0.0000  0.4975  1
  As  As3  2  0.5000  0.3530  0.5262  1
  As  As4  1  0.5000  0.5000  0.4206  1
]