data_[Sm1Er2Tm1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [P2/m]
_cell_length_a [7.1178]
_cell_length_b [4.1174]
_cell_length_c [7.1182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmEr2TmAs4]
_chemical_formula_sum '[Sm1 Er2 Tm1 As4]'
_cell_volume [196.8239]
_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
[
  Sm  Sm0  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
  Tm  Tm3  1  0.0000  0.0000  0.0000  1.0
  As  As4  2  0.2519  0.5000  0.2464  1.0
  As  As5  2  0.2551  0.0000  0.7560  1.0
]