data_[Er1Tm2Zr1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7390]
_cell_length_b [3.8869]
_cell_length_c [6.7408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErTm2ZrP4]
_chemical_formula_sum '[Er1 Tm2 Zr1 P4]'
_cell_volume [166.6528]
_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  0.5000  0.5000  1
  Tm  Tm1  1  0.5000  0.0000  0.5000  1
  Tm  Tm2  1  0.5000  0.5000  0.0000  1
  Zr  Zr3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2428  0.5000  0.2419  1
  P  P5  2  0.2467  0.0000  0.7551  1
]