data_YZr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   39.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2P
_chemical_formula_sum   'Y1 Zr2 P1'
_cell_volume   89.43
_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
  Y  Y1  1  1.0  0.0  0.74  1.0
  Zr  Zr2  1  0.0  0.0  0.07  1.0
  Zr  Zr3  1  1.0  0.0  0.65  1.0
  P  P0  1  0.0  0.0  0.86  1.0

data_YZr2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.01
_cell_length_b   4.0
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   109.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YZr2P
_chemical_formula_sum   'Y1 Zr2 P1'
_cell_volume   89.43
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.74  0.5  0.74  1.0
  Zr  Zr1  1  0.07  0.5  0.07  1.0
  Zr  Zr2  1  0.65  0.5  0.65  1.0
  P  P3  1  0.86  0.5  0.86  1.0

Y Zr Zr P