data_[Tb2Mg1Zr1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  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 [6.7209]
_cell_length_b [3.9098]
_cell_length_c [6.8143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb2MgZrP4]
_chemical_formula_sum '[Tb2 Mg1 Zr1 P4]'
_cell_volume [168.3528]
_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
[
  Tb  Tb0  1  0.5000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.5000  0.5000  0.0000  1.0
  Mg  Mg2  1  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  1  0.0000  0.0000  0.0000  1.0
  P  P4  2  0.2330  0.0000  0.7483  1.0
  P  P5  2  0.2354  0.5000  0.2407  1.0
]