data_[La1Mg2Zr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2653]
_cell_length_b [4.7521]
_cell_length_c [6.7441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LaMg2Zr]
_chemical_formula_sum '[La1 Mg2 Zr1]'
_cell_volume [104.6491]
_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
[
  La  La0  1  0.5000  0.5000  0.7368  1
  Mg  Mg1  1  0.0000  0.0000  0.0173  1
  Mg  Mg2  1  0.5000  0.5000  0.2539  1
  Zr  Zr3  1  0.0000  0.0000  0.4920  1
]