data_[Ce2Tm1Sc1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0918]
_cell_length_b [4.1194]
_cell_length_c [7.1353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce2TmScAs4]
_chemical_formula_sum '[Ce2 Tm1 Sc1 As4]'
_cell_volume [196.3806]
_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  0.0000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.5000  0.5000  1.0
  Tm  Tm2  1  0.5000  0.5000  0.0000  1.0
  Sc  Sc3  1  0.5000  0.0000  0.5000  1.0
  As  As4  2  0.2621  0.0000  0.7488  1.0
  As  As5  2  0.2656  0.5000  0.2602  1.0
]