data_[Er2Mg1Sc1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5630]
_cell_length_b [4.3562]
_cell_length_c [7.6883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er2MgScBi4]
_chemical_formula_sum '[Er2 Mg1 Sc1 Bi4]'
_cell_volume [238.5931]
_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
[
  Er  Er0  1  0.0000  0.0000  0.0000  1
  Er  Er1  1  0.0000  0.5000  0.5000  1
  Mg  Mg2  1  0.5000  0.5000  0.0000  1
  Sc  Sc3  1  0.5000  0.0000  0.5000  1
  Bi  Bi4  2  0.2609  0.5000  0.2568  1
  Bi  Bi5  2  0.2619  0.0000  0.7519  1
]