data_Zr2CrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.5
_cell_angle_alpha   104.97
_cell_angle_beta   104.97
_cell_angle_gamma   35.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrP
_chemical_formula_sum   'Zr2 Cr1 P1'
_cell_volume   69.41
_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
  Zr  Zr2  1  0.15  0.0  0.23  1.0
  Zr  Zr3  1  0.58  0.0  0.16  1.0
  Cr  Cr0  1  0.9  0.0  0.06  1.0
  P  P1  1  0.48  0.0  0.05  1.0

data_Zr2CrP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.5
_cell_length_c   5.23
_cell_angle_alpha   104.97
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrP
_chemical_formula_sum   'Zr2 Cr1 P1'
_cell_volume   69.41
_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
  Zr  Zr0  1  0.0  0.16  0.58  1.0
  Zr  Zr1  1  0.0  0.23  0.15  1.0
  Cr  Cr2  1  0.0  0.06  0.9  1.0
  P  P3  1  0.0  0.05  0.48  1.0

Zr Zr Cr P