data_[Ho2Mg1Zr1Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7516]
_cell_length_b [3.3408]
_cell_length_c [10.9503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho2MgZrSc4]
_chemical_formula_sum '[Ho2 Mg1 Zr1 Sc4]'
_cell_volume [206.6620]
_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
[
  Ho  Ho0  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  1  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  1  0.5000  0.5000  0.0000  1.0
  Zr  Zr3  1  0.5000  0.0000  0.5000  1.0
  Sc  Sc4  2  0.2500  0.5000  0.2592  1.0
  Sc  Sc5  2  0.2589  0.0000  0.7502  1.0
]