data_[Sm1Y1Zr2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  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 [6.9148]
_cell_length_b [3.9996]
_cell_length_c [6.9991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2505]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmY(ZrAs2)2]
_chemical_formula_sum '[Sm1 Y1 Zr2 As4]'
_cell_volume [182.7475]
_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  0.5000  0.5000  0.0000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Zr  Zr2  1  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  1  0.5000  0.0000  0.5000  1.0
  As  As4  2  0.2418  0.0000  0.7326  1.0
  As  As5  2  0.2528  0.5000  0.2655  1.0
]